data_2cto_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 2cto _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 ' 16' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 19' ' ' TYR . 17.9 m120 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.51 -46.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.62 -42.52 99.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.8 t80 -63.05 -43.24 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.76 -41.46 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.89 -42.32 98.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG1' HG11 ' A' ' 39' ' ' VAL . 52.3 t -68.84 -41.03 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -53.85 -41.48 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.93 7.89 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -120.09 -17.24 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.3 mt -48.18 -57.8 9.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.551 0.691 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.2 Cg_endo -69.78 -21.89 32.76 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.86 -39.76 69.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.11 -40.05 60.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -48.55 -45.31 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -67.71 -41.05 84.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -53.36 -39.54 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.38 41.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.0 mt -127.23 144.19 49.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 87.92 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.288 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.24 105.25 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.18 -41.22 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -138.35 -178.69 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG11 ' CG1' ' A' ' 22' ' ' VAL . 54.9 t -55.73 -53.32 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . . . -43.72 -32.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.83 -41.41 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.85 10.24 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 mt -66.12 -58.46 10.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.85 -41.56 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -60.67 -10.67 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.37 31.2 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -86.87 -35.49 18.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.89 -32.12 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.54 -37.99 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.476 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 62.6 t-105 -65.01 -37.94 89.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.45 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.8 mt -73.07 -31.97 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 13.9 mt -54.18 157.51 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -100.3 155.74 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -40.99 -46.92 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.16 -47.8 71.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.15 -54.15 45.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -49.82 -46.01 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -63.77 -37.95 89.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -60.55 -50.67 72.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -65.19 -36.76 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.14 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.01 -53.15 13.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.4 ptm -60.84 -34.9 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.79 -49.28 54.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -58.52 -50.93 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.13 -34.45 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -63.54 -47.8 80.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -66.76 -40.84 88.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.37 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.22 75.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.9 t-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 61' ' ' TYR . . . -34.04 -45.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.62 -58.76 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -44.17 -43.84 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.57 -40.06 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.442 ' CG1' HG13 ' A' ' 39' ' ' VAL . 49.6 t -72.73 -34.16 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.46 -33.15 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -86.28 6.29 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -120.47 -14.38 8.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -50.28 -58.64 9.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 111.168 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.0 Cg_endo -69.87 -22.03 32.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -71.98 -36.32 69.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.98 -38.77 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -49.04 -45.89 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -61.69 -39.39 91.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -58.93 -41.36 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.25 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.2 mt -129.09 143.74 49.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 82.8 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.585 2.19 . . . . 0.0 112.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.76 92.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.86 -36.78 21.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -136.95 -177.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' CG1' ' A' ' 22' ' ' VAL . 22.3 t -61.62 -50.72 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.06 -23.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.71 -37.93 16.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.13 4.55 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -60.81 -58.05 22.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.75 -48.12 0.79 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -54.99 -16.09 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 83.2 m -129.41 31.89 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.9 p -83.56 -46.23 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -72.81 -34.55 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.8 -37.55 84.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.652 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 58.5 t-105 -65.93 -39.64 90.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.27 -14.71 57.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.87 -23.62 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 3.8 mt -54.23 160.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -98.78 149.56 22.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -42.49 -46.79 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -54.85 -46.94 74.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CB ' HD22 ' A' ' 53' ' ' LEU . 4.7 mm-40 -60.82 -53.94 51.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 59.2 mttt -50.61 -46.97 58.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.9 -48.48 81.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -53.06 -53.92 43.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 17' ' ' ALA . 34.8 m-85 -57.01 -40.76 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.6 95.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.19 -55.31 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.2 ptp -58.9 -34.43 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.97 -54.4 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 22.4 mtm105 -56.27 -54.4 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.06 -40.23 73.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.31 -48.77 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -64.05 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.35 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.88 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.16 -37.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.46 -56.56 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -48.91 -45.72 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.8 m-85 -60.13 -42.29 94.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 53' ' ' LEU . 68.7 t80 -64.11 -46.75 82.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.75 -46.71 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -53.56 -41.54 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.68 9.07 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -119.75 -24.1 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -42.85 -58.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.666 0.745 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.69 -23.63 30.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.75 -39.02 73.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.05 -42.67 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 14.2 mtp-105 -46.27 -47.69 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -70.41 -36.05 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -55.77 -44.11 77.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.96 44.12 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -132.44 143.86 50.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.397 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.92 105.64 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.53 -40.08 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -141.36 175.44 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 24.8 t -50.9 -43.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.51 -39.28 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.1 m-20 -74.44 -37.96 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.28 -13.14 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.9 mt -47.53 -58.41 7.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 27.3 m-85 -59.97 -12.39 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 86.1 m -108.32 -35.72 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' CYS . 51.7 p -36.05 -34.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' CYS . 37.0 m -72.88 -53.02 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.79 -47.64 84.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 53' ' ' LEU . 69.4 t-105 -52.82 -38.41 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.75 -19.23 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.5 -29.8 37.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 50' ' ' TRP . 7.5 mt -53.4 158.04 1.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -97.77 155.9 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -45.14 -43.86 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.29 -48.67 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' HD22 ' A' ' 53' ' ' LEU . 28.5 mm-40 -58.96 -53.92 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -53.31 -46.11 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.29 -41.49 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -61.87 -49.1 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.88 -36.82 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.89 -37.7 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.42 -34.74 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.72 -54.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -57.51 -56.82 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.52 -35.04 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.461 ' CE2' ' HG3' ' A' ' 72' ' ' GLN . 70.9 t90 -65.07 -51.53 60.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -58.58 -38.68 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.52 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.13 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 63.3 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.341 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB2' ' N ' ' A' ' 62' ' ' ALA . . . -40.46 -44.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -58.11 -51.0 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -52.95 -48.59 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 65' ' ' ALA . 7.0 m-85 -59.26 -38.67 80.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -64.9 -50.52 66.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG1' HG13 ' A' ' 39' ' ' VAL . 95.4 t -61.9 -33.1 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' NE2' HG23 ' A' ' 39' ' ' VAL . 7.2 tp-100 -63.99 -41.09 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.17 10.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -120.16 -25.69 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -38.94 -58.71 1.63 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.9 Cg_endo -69.71 -22.62 32.08 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.658 2.239 . . . . 0.0 112.411 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.06 -41.86 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.4 -37.99 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -50.23 -40.22 46.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -74.0 -37.56 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -56.59 -44.27 80.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.43 47.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -129.68 143.53 49.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -122.69 111.19 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.57 -35.44 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -140.4 174.29 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 ' CG1' ' A' ' 22' ' ' VAL . 77.0 t -51.96 -49.11 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.93 -35.92 25.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.8 m-20 -73.36 -34.67 65.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -86.94 -9.65 55.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 mt -47.2 -57.84 8.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.79 -34.83 13.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 17.2 m-85 -79.21 11.41 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' SER . 35.0 m -128.15 -41.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' CYS . 35.0 t -35.14 -44.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -57.88 -57.74 11.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 -38.91 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 73.7 t-105 -57.94 -40.88 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.13 -34.01 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.567 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 15.1 mt -55.25 155.91 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.29 167.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -51.65 -46.36 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -50.24 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.795 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.37 -54.79 43.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -50.29 -47.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.5 -46.12 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -55.65 -51.73 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.14 -42.52 86.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.28 -42.4 93.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.81 -54.07 50.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.0 ptp -60.24 -32.45 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . . . -66.62 -53.11 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -59.18 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.97 -42.29 84.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.403 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 55.2 t90 -61.79 -46.67 88.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -60.28 -39.49 87.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.57 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.13 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ALA . 6.0 t-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -34.7 -44.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.69 -53.01 62.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -51.89 -49.62 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 9.4 m-85 -57.99 -33.77 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.46 -45.46 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.68 -32.48 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -63.96 -34.28 77.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.39 5.91 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -117.46 -21.47 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.3 mt -42.02 -58.06 3.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.71 -22.68 31.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.91 -37.94 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.98 -37.48 39.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -52.2 -36.1 51.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.69 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -63.88 -39.02 93.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.37 44.61 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.2 mt -131.07 142.31 45.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' CG ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -135.41 121.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.54 -20.96 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -163.08 174.13 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' N ' HD13 ' A' ' 26' ' ' ILE . 21.3 t -45.53 -53.7 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.95 -39.27 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t0 -74.01 -40.55 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.58 5.87 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.59 18.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.75 -40.03 5.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.24 -7.49 9.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 33.1 m -113.51 -31.25 6.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 4.8 t -36.83 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 67.5 m -76.0 -53.43 8.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.97 -41.81 99.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.3 t-105 -59.71 -36.19 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.01 -18.84 65.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 mt -80.25 -30.25 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.8 mt -53.56 158.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -102.62 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -48.05 -47.82 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -53.42 -52.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' CB ' HD21 ' A' ' 53' ' ' LEU . 3.4 mm-40 -55.05 -57.0 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.64 -46.49 28.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -59.44 -51.21 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.66 -51.61 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.439 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 26.0 m-85 -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.442 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 3.3 tp10 -62.79 -55.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.5 ptp -58.94 -32.78 69.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.35 -44.26 79.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -67.16 -36.82 82.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 12.7 mt-10 -67.62 -43.37 80.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -65.56 -46.65 78.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -60.24 -45.1 94.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.68 -51.9 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.66 75.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ALA . 13.7 m120 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.95 0.405 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.17 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -61.5 -51.36 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.76 -45.79 67.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.9 m-85 -61.33 -38.75 88.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -70.73 -41.91 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG13 ' CG1' ' A' ' 39' ' ' VAL . 44.5 t -69.4 -37.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -62.76 -35.66 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.77 1.23 39.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -112.02 -16.29 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -51.12 -57.85 12.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.7 Cg_endo -69.79 -23.88 30.15 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.27 -37.73 74.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.74 -41.06 46.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -46.15 -42.87 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 15.5 mtp-105 -73.14 -34.46 66.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -57.67 -44.06 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 42.98 0.35 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.7 mt -127.12 144.09 49.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.13 129.2 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.01 -32.29 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.84 -178.87 6.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' N ' HD12 ' A' ' 26' ' ' ILE . 68.4 t -50.85 -54.96 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.85 -29.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 75.9 m-20 -86.71 -40.23 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.0 2.81 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.1 mt -62.76 -58.72 15.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 52.9 Cg_endo -69.85 -43.51 2.54 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 25.9 m-85 -61.93 -8.6 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' SER . 94.3 m -117.05 -29.43 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 p -38.62 -31.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' CYS . 35.9 p -75.85 -53.27 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.47 -44.45 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.4 t-105 -57.0 -36.33 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.23 -12.82 62.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.49 -22.24 23.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 8.0 mt -58.95 158.71 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.59 162.7 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.18 -50.04 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -54.51 -44.43 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HD21 ' A' ' 53' ' ' LEU . 6.3 mm-40 -60.13 -56.62 19.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -51.93 -40.06 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.7 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.95 -42.93 84.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -68.35 -32.81 73.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.52 -49.12 76.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 24.0 ptm -60.1 -45.41 93.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -59.85 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -57.08 -48.86 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -57.56 -38.69 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -64.6 -46.89 80.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -63.1 -45.66 91.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.98 96.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.31 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -33.29 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -65.19 -53.58 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 39' ' ' VAL . 59.1 t80 -50.87 -46.96 60.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.5 m-85 -56.4 -44.0 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE1' HD11 ' A' ' 53' ' ' LEU . 77.6 t80 -64.27 -48.04 77.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.8 -38.36 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -60.36 -41.68 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.86 8.15 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -120.08 -23.12 6.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -41.35 -58.46 2.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 111.153 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.5 Cg_endo -69.7 -21.17 34.16 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.764 2.31 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.27 -36.63 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD11 ' CB ' ' A' ' 45' ' ' TYR . 95.8 mt -80.31 -40.43 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -48.77 -41.17 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -71.05 -42.54 69.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -52.44 -40.48 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.67 45.6 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.01 143.44 48.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 85.1 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.06 108.98 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.61 -40.07 8.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -139.59 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 19' ' ' TYR . 65.3 t -48.75 -51.81 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.4 -37.3 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -77.74 -39.03 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.58 5.85 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -66.17 -58.19 11.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.75 -44.97 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 30.4 m-85 -57.63 -12.66 3.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 75.9 m -110.34 -30.04 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.2 p -34.93 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.3 t -72.01 -55.99 6.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -57.43 -47.1 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.8 t-105 -58.61 -36.34 73.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.03 -8.9 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.68 -23.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 5.8 mt -56.81 156.74 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -94.7 156.11 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -46.6 -44.99 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.07 -47.17 81.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CB ' HD22 ' A' ' 53' ' ' LEU . 32.9 mm-40 -59.2 -55.34 36.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -52.16 -45.95 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.15 -41.65 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -61.24 -49.48 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -59.63 -37.35 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -68.54 -40.09 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.46 -49.38 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 ptm -65.39 -28.99 69.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -70.71 -60.14 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -56.94 -56.56 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 68' ' ' TRP . 7.3 pt-20 -53.4 -43.89 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.421 ' N ' ' CG ' ' A' ' 67' ' ' GLU . 65.2 t90 -57.98 -49.64 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -42.52 88.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.86 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.79 -36.59 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 m-80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -37.54 -35.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -69.93 -48.09 59.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ASN . 21.4 t80 -58.26 -41.72 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.6 m-85 -61.79 -40.45 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.91 -48.28 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.29 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -44.97 78.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.98 8.89 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -119.68 -18.57 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -46.07 -57.74 7.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -25.77 28.11 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.08 -24.89 63.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 14.3 mt -91.14 -43.38 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -49.98 -33.18 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -75.74 -36.35 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -60.71 -40.33 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.59 39.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.18 142.84 41.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.83 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.91 107.26 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.96 -31.51 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -137.04 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' N ' HD12 ' A' ' 26' ' ' ILE . 97.3 t -56.11 -53.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.12 -30.86 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.24 -39.39 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -88.48 6.17 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -61.63 -58.62 17.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.72 -40.07 5.82 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.743 2.295 . . . . 0.0 112.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.88 -6.75 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 m -120.75 -19.31 7.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -46.13 -23.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.7 p -86.4 -41.54 14.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.96 -41.77 81.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 65.2 t-105 -61.55 -36.11 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.46 66.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.82 -32.37 40.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 11.5 mt -49.57 149.45 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -91.79 159.13 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -46.15 -49.31 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.54 -46.63 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' CB ' HD23 ' A' ' 53' ' ' LEU . 5.2 mm-40 -58.99 -56.2 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 58.9 mttt -48.99 -47.99 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.69 -50.67 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.83 -52.87 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -56.5 -42.51 78.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -60.03 -50.53 73.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 8.0 ptp -63.69 -33.61 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.35 -58.71 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.34 -57.56 12.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -52.05 -31.83 31.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -69.84 -52.03 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.28 -43.58 92.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.18 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.63 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.3 t-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -37.52 -46.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -58.49 -51.79 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -53.61 -43.94 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.4 m-85 -64.87 -32.78 74.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.26 -41.97 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.31 -36.91 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.14 -42.5 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -78.38 0.55 25.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -110.31 -21.63 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -40.91 -58.65 2.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.82 -25.2 28.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -69.35 -41.34 76.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.88 -39.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 72.1 mtp180 -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -64.11 -39.07 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' NH2' HD12 ' A' ' 34' ' ' LEU . 30.8 mtm180 -58.79 -41.64 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 29.23 1.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.556 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' NH2' ' A' ' 32' ' ' ARG . 80.5 mt -108.77 144.05 28.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -128.01 113.27 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.53 -37.61 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -139.42 -175.66 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.44 -52.23 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.92 -32.73 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 5.3 m-20 -76.18 -42.06 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.27 24.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -65.81 -58.76 10.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.69 -45.58 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.3 m-85 -56.59 -13.04 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' SER . 39.0 m -110.62 -30.58 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 49.2 p -35.7 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.6 m -77.23 -52.33 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.71 -44.45 93.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.5 t-105 -54.4 -36.47 63.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -17.9 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.99 -28.93 39.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 17.2 mt -58.3 159.68 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -107.57 164.39 12.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.8 -47.38 10.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -54.12 -52.54 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.49 -55.36 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -50.2 -45.04 53.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.12 -49.47 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -53.99 -51.69 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -57.13 -41.81 79.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -66.19 -39.26 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.49 -52.05 65.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.9 ptm -63.14 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -67.76 -58.28 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -59.26 -56.87 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.1 -39.25 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -64.31 -51.91 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.12 -46.34 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.85 53.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.57 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ALA . 27.6 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -35.3 -44.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -56.32 -54.44 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -49.79 -50.99 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.513 ' CE1' ' HB1' ' A' ' 65' ' ' ALA . 8.1 m-85 -58.02 -39.34 78.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.49 -51.85 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG13 ' CG1' ' A' ' 39' ' ' VAL . 63.0 t -60.45 -42.91 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -53.69 -41.9 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.75 12.57 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -123.39 -22.96 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -41.15 -58.72 2.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.4 Cg_endo -69.75 -22.58 31.91 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.26 . . . . 0.0 112.332 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -72.42 -39.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.37 -42.41 25.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CG ' HG23 ' A' ' 36' ' ' VAL . 34.4 mtp180 -46.71 -45.57 19.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.59 -37.84 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -53.19 -43.91 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.87 42.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -130.07 143.33 48.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 84.47 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 ' CG ' ' A' ' 30' ' ' ARG . 2.0 m -126.36 108.63 19.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.87 -34.25 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -143.26 171.29 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' HG13 ' A' ' 22' ' ' VAL . 71.9 t -48.49 -49.13 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.84 -38.42 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 4.9 m-20 -73.84 -36.75 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.57 -14.23 55.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 mt -46.58 -58.12 7.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.75 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.6 Cg_endo -69.76 -36.38 10.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 21.0 m-85 -75.88 6.03 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 5.2 m -117.73 -40.33 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' CYS . 84.2 p -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' CYS . 20.9 m -63.75 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -39.72 81.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 76.1 t-105 -58.67 -43.05 89.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.57 -22.8 64.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 mt -78.45 -32.34 48.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.501 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 14.1 mt -52.25 151.91 3.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -93.7 162.66 13.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.61 -48.32 49.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.05 -46.31 75.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.18 -54.58 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -50.4 -47.79 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.88 -46.74 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -55.02 -52.27 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.83 -42.89 85.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -64.82 -42.18 95.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -60.2 -54.87 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 2.5 ptp -58.82 -33.7 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 20' ' ' PHE . . . -67.26 -48.19 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -61.4 -47.73 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.18 -41.24 92.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.481 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 47.6 t90 -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 19.6 mmm-85 -62.35 -40.08 95.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.88 -48.95 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.63 86.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.427 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 80.8 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.2 -47.09 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -56.31 -53.31 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.62 -48.44 69.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -56.96 -39.84 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.467 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 t80 -69.45 -54.83 12.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.16 -37.09 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.33 -35.39 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -82.44 7.31 14.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HE3' ' CZ ' ' A' ' 21' ' ' PHE . 60.9 mmtt -117.7 -22.15 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -38.86 -58.62 1.63 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -22.88 31.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.77 -29.67 64.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' ARG . 20.3 mt -84.03 -43.74 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -44.28 -39.48 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -75.65 -30.56 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.7 mtt180 -63.42 -42.81 98.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.28 43.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.4 mt -130.2 142.8 46.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.65 114.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.57 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -144.87 -178.38 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' N ' HD12 ' A' ' 26' ' ' ILE . 78.4 t -55.23 -56.07 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.93 -30.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.79 -44.15 19.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.33 5.86 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -63.99 -58.13 15.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.9 Cg_endo -69.73 -42.39 3.47 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.71 -10.65 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' SER . 6.1 m -111.76 -26.5 8.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' CYS . 8.3 t -38.09 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' CYS . 69.4 m -78.36 -52.28 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.19 -46.99 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.547 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.0 t-105 -55.52 -33.82 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.18 -20.91 62.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.21 -22.11 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.547 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.5 mt -62.73 163.76 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -109.12 163.36 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -45.93 -45.03 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -55.45 -49.82 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' CB ' HD22 ' A' ' 53' ' ' LEU . 5.6 mm-40 -58.73 -53.77 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -52.66 -45.56 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.96 -41.07 97.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -59.5 -50.53 73.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -61.57 -37.8 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.62 81.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.3 -53.99 24.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 ptm -62.0 -32.03 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.79 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -58.07 -55.44 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.83 -37.77 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -62.99 -52.13 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -56.79 -44.95 82.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.18 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.73 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.5 t-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -36.05 -48.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -58.37 -53.0 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -48.18 -50.05 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 9.4 m-85 -58.26 -42.37 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.39 -53.43 57.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.09 -35.27 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.1 -39.21 85.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -82.64 5.19 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.79 -18.93 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.6 mt -46.69 -57.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.581 0.705 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.1 Cg_endo -69.75 -23.75 30.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.412 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.48 -40.18 70.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -75.68 -35.24 60.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -57.28 -36.86 71.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -79.99 -29.83 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 143.89 50.97 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.23 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.06 122.57 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.44 -28.77 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -165.09 173.96 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ILE . 24.8 t -38.49 -62.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -36.87 -40.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.24 -42.35 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . -81.96 1.66 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.1 mt -59.75 -58.75 17.14 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.663 0.744 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 52.8 Cg_endo -69.83 -37.51 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.286 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -70.04 -0.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' SER . 24.4 m -118.65 -33.77 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.0 p -37.56 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' CYS . 52.8 p -73.62 -53.96 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.14 -42.48 99.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.533 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.8 t-105 -57.78 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.17 -14.39 62.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.81 -23.88 25.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 18.3 mt -61.1 159.25 12.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -106.75 162.96 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -46.49 -47.83 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.31 -51.94 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -56.49 -54.49 45.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -49.79 -46.83 51.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.63 -52.77 64.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -50.47 -54.87 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -54.81 -41.28 70.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.46 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -66.15 -41.32 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.34 -49.99 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.5 ptp -64.73 -32.05 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.72 -57.31 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 66' ' ' ARG . 4.5 ptp180 -58.89 -55.67 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -52.03 -42.33 62.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.3 -51.16 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -57.83 -41.39 82.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.03 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.38 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' TYR . 21.1 m120 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -34.68 -49.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -54.05 -45.65 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -62.28 -43.95 97.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -64.31 -27.54 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -80.17 -36.95 34.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -73.35 -41.46 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -39.15 82.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.09 9.47 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -121.7 -24.07 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -43.31 -57.86 4.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.729 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.277 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.13 -33.67 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.2 -47.56 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtp85 -39.81 -43.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -69.81 -40.5 75.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -55.69 -41.01 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.12 42.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -125.84 144.14 47.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.545 0.688 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 88.21 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.571 2.181 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.45 106.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.87 -42.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -139.57 -178.07 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' ILE . 54.8 t -55.49 -50.56 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.22 -28.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -42.92 15.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.04 7.61 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -67.37 -58.66 8.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.2 Cg_endo -69.7 -42.38 3.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.91 -11.38 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.88 17.98 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 97.0 p -70.04 -44.98 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -73.86 -40.73 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.27 -36.84 73.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 66.3 t-105 -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.93 -11.81 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -85.98 -22.3 27.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 7.4 mt -60.93 158.16 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -92.44 155.9 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -46.84 -47.02 21.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.8 -45.48 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' CB ' HD22 ' A' ' 53' ' ' LEU . 23.6 mm-40 -59.69 -55.15 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -50.65 -47.06 58.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.61 -48.21 81.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.35 -52.16 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . 22.2 m-85 -57.29 -42.06 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -65.31 -44.6 87.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.73 -50.78 72.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -61.64 -33.92 74.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.59 -59.55 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 3.6 ptm180 -60.13 -56.9 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.08 -34.79 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -68.55 -52.91 26.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' NH2' ' HA ' ' A' ' 66' ' ' ARG . 25.8 mtm105 -60.56 -41.45 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.06 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.6 m120 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' N ' ' A' ' 62' ' ' ALA . . . -34.34 -49.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.06 -48.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 5.7 t80 -55.84 -46.19 78.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.82 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -64.66 -47.87 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.86 -42.21 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.57 8.63 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -121.11 -19.49 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -46.6 -58.66 6.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.78 -22.51 31.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.41 -36.88 68.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.2 -47.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -39.05 -45.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -68.35 -40.94 81.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 10.5 mtp-105 -52.63 -45.6 66.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.83 40.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.2 mt -122.93 143.84 41.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 89.47 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.13 114.49 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.89 -30.01 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -146.99 -178.43 6.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' N ' HD13 ' A' ' 26' ' ' ILE . 31.7 t -58.01 -53.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.59 -40.5 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.15 7.65 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -63.38 -58.21 16.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.723 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.7 Cg_endo -69.68 -41.33 4.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -61.46 -8.98 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.4 m -130.56 26.67 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 t -83.12 -40.3 19.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 m -77.62 -37.75 49.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -64.02 -38.52 91.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 64.8 t-105 -64.85 -34.81 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.29 -13.85 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -82.4 -31.89 29.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 10.1 mt -50.83 159.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.0 mtm180 -102.81 149.1 24.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ARG . 9.6 tp10 -35.36 -52.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.81 -50.62 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.03 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -52.58 -44.27 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.65 -42.15 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -60.28 -48.62 80.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CB ' ' HB3' ' A' ' 17' ' ' ALA . 24.2 m-85 -62.01 -37.22 84.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.432 ' N ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.5 -43.08 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.48 -50.33 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.53 -34.04 77.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.31 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' NH2' ' HB1' ' A' ' 62' ' ' ALA . 10.6 ptp180 -59.76 -57.67 11.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' H ' ' CG ' ' A' ' 66' ' ' ARG . 62.6 mm-40 -49.97 -35.69 25.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -67.86 -53.09 29.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -57.42 -39.53 76.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.71 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -31.9 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.0 t-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 61' ' ' TYR . . . -35.73 -49.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -56.6 -53.28 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 8.9 t80 -49.21 -44.47 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.34 -38.81 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -63.54 -43.94 95.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.47 -25.88 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -78.05 -26.88 48.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -92.65 3.83 54.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 mmtp -117.19 -23.5 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -38.14 -57.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.1 Cg_endo -69.85 -21.52 32.95 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' LYS . 11.3 tt0 -72.38 -41.52 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.73 -39.46 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -48.79 -40.77 30.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -77.55 -28.43 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.42 -42.82 98.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.21 38.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -127.03 144.03 48.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.09 104.39 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.64 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -142.8 176.89 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' N ' HD13 ' A' ' 26' ' ' ILE . 28.9 t -55.04 -49.67 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.22 -30.32 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.19 -42.6 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -10.09 59.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -47.15 -58.19 7.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.87 -43.16 2.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.613 2.208 . . . . 0.0 112.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -66.87 -6.05 14.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -118.37 -8.14 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 -58.23 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 p -55.34 -27.6 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.44 -33.45 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.522 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 71.2 t-105 -65.86 -32.29 73.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.36 -14.05 62.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 mt -85.29 -26.07 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.522 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 13.1 mt -57.42 157.04 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -100.33 161.77 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -47.86 -45.18 29.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.77 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CB ' HD23 ' A' ' 53' ' ' LEU . 1.3 mm-40 -56.38 -54.5 44.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -49.37 -47.92 47.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.53 -47.88 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -53.73 -54.61 35.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.459 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . 20.4 m-85 -56.17 -41.06 74.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.457 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -66.64 -39.46 88.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.5 -49.67 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 68' ' ' TRP . 11.1 ptp -65.55 -28.96 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.04 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' CG ' ' H ' ' A' ' 67' ' ' GLU . 10.7 ptm180 -57.28 -56.34 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 68' ' ' TRP . 8.1 pt-20 -53.46 -43.59 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.415 ' N ' ' CG ' ' A' ' 67' ' ' GLU . 60.3 t90 -60.46 -47.45 86.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -62.18 -41.05 97.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.52 87.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.46 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.9 t-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 61' ' ' TYR . . . -35.14 -37.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -62.93 -46.06 89.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 t80 -66.93 -42.75 84.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -65.66 -40.51 92.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.12 -40.55 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' ' HB1' ' A' ' 42' ' ' ALA . 53.7 t -68.7 -38.97 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.23 -46.56 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.91 6.94 6.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -120.1 -23.76 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 mt -45.53 -57.81 7.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.711 0.767 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.78 -22.96 31.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -70.3 -32.71 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 26.9 mt -79.97 -46.66 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -42.3 -29.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -79.21 -34.89 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 30.7 mtp180 -65.04 -40.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.45 43.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -124.14 139.64 33.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.53 0.681 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.236 . . . . 0.0 112.325 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.75 119.47 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.4 -37.89 6.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -137.83 -177.07 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' CG1' ' A' ' 22' ' ' VAL . 88.3 t -58.64 -47.31 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.01 -25.06 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.24 -39.65 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -86.97 10.88 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -68.52 -57.79 8.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.28 . . . . 0.0 112.293 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.33 -8.85 9.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' ASP . 3.9 p -121.72 -20.79 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' CYS . 18.8 t -35.97 -34.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 86.8 p -86.68 -40.78 14.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.7 t0 -60.07 -43.24 95.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.54 ' CE3' HD13 ' A' ' 53' ' ' LEU . 71.1 t-105 -57.48 -39.76 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.65 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.24 -27.33 47.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 50' ' ' TRP . 12.0 mt -57.73 160.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -101.63 153.39 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -40.78 -47.44 2.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.92 -50.29 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -59.16 -52.67 64.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -51.49 -47.42 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.81 -53.32 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -49.53 -55.18 14.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 18.6 m-85 -55.71 -42.79 75.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.28 90.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.97 -49.87 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 10.1 ptp -63.51 -35.22 79.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.08 -60.24 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -55.37 -57.81 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.26 -35.58 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -66.61 -48.62 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 7.5 mtp-105 -61.04 -38.53 86.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.68 82.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.26 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 61' ' ' TYR . . . -44.61 -35.7 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.43 -41.63 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -45.49 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 7.7 m-85 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 61' ' ' TYR . 37.9 t80 -59.05 -39.97 83.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -75.81 -39.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.599 ' NE2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -53.86 -48.43 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -78.91 9.61 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -121.86 -23.72 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -43.36 -57.92 4.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -20.51 34.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.625 2.216 . . . . 0.0 112.365 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.38 -39.21 68.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.44 -42.86 58.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -46.75 -35.13 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -75.47 -41.04 56.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -55.41 -41.71 73.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.68 45.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.75 141.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.688 0.756 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 80.05 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.4 117.67 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.87 -35.17 9.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -150.43 -176.73 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.599 ' CG2' ' NE2' ' A' ' 23' ' ' GLN . 55.1 t -53.62 -51.14 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 -40.72 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.03 11.63 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.44 -57.85 6.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.79 -11.43 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 p -117.28 -24.84 7.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' CYS . 16.5 t -36.27 -32.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . 89.6 p -85.5 -42.52 14.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.7 t70 -62.5 -47.96 81.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -53.51 -36.38 61.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.27 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.2 -27.97 38.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.59 165.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -104.68 164.13 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.41 -47.31 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.09 -50.12 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.44 -55.41 35.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -52.47 -34.65 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.76 -40.28 76.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -64.95 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 21' ' ' PHE . 30.0 m-85 -71.8 -38.44 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.52 -46.94 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 64' ' ' MET . 2.6 pp20? -62.92 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.453 ' N ' ' CD ' ' A' ' 63' ' ' GLU . 10.3 ptp -65.98 -38.88 89.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 20' ' ' PHE . . . -63.11 -56.14 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 63' ' ' GLU . 14.2 ptt180 -58.07 -56.65 19.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.63 -41.86 32.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.32 -49.8 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -59.8 -40.23 87.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.76 62.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.485 ' ND2' ' NH2' ' A' ' 66' ' ' ARG . 30.3 m120 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -38.26 -47.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.64 -45.05 93.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -56.3 -44.65 80.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 65' ' ' ALA . 8.2 m-85 -63.35 -41.28 98.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 82.4 t80 -64.13 -57.3 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.405 ' CG1' HG12 ' A' ' 39' ' ' VAL . 92.3 t -55.22 -24.89 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' NE2' HG21 ' A' ' 39' ' ' VAL . 8.0 tp-100 -73.76 -45.36 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 20' ' ' PHE . 1.3 mp0 -74.61 4.34 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mmtm -112.36 -28.92 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.9 mt -36.23 -58.62 0.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.89 -21.61 32.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.1 tt0 -72.24 -32.54 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -83.5 -38.63 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -47.72 -48.78 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.74 -37.95 82.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -55.07 -40.21 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.99 45.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.554 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -128.76 143.4 48.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.57 0.7 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 85.8 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.91 123.81 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.98 -30.18 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 3.6 ptm85 -138.43 173.72 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 26' ' ' ILE . 82.5 t -57.2 -45.61 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.11 -33.4 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.96 -39.3 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.75 3.8 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.35 19.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.85 -34.57 14.04 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -73.29 2.77 6.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ASP . 7.4 m -127.87 -31.34 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' CYS . 28.8 t -36.64 -37.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -70.85 -47.96 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.2 m-20 -63.41 -34.72 78.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.515 ' CE3' HD12 ' A' ' 53' ' ' LEU . 75.6 t-105 -63.34 -41.39 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -8.64 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -91.28 -24.82 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.515 HD12 ' CE3' ' A' ' 50' ' ' TRP . 14.9 mt -60.92 161.12 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -100.02 157.75 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.84 -43.37 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.98 -45.82 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.24 -54.82 35.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -50.84 -47.13 60.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -60.28 -43.16 96.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.75 -49.3 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.32 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.2 -52.72 64.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -60.12 -33.93 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . . . -65.41 -52.38 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' NH2' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.45 -36.21 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -64.13 -48.71 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.75 -42.21 97.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.57 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.36 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.6 m120 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -34.74 -46.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ASN . 46.0 t80 -55.96 -40.84 73.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 65' ' ' ALA . 8.8 m-85 -70.64 -33.52 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.55 -54.43 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.87 -27.17 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 39' ' ' VAL . 5.3 tp-100 -73.8 -39.38 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.74 11.72 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mmtm -123.07 -25.54 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.0 mt -37.05 -58.34 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.8 Cg_endo -69.79 -22.89 31.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.6 2.2 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.0 tp10 -71.15 -40.13 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.44 -42.81 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -45.15 -41.24 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -73.0 -42.76 62.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -52.71 -42.79 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.42 45.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -128.85 143.48 48.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.97 106.56 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.5 -32.4 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -145.41 175.04 10.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' N ' HD12 ' A' ' 26' ' ' ILE . 59.5 t -51.0 -54.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.22 -34.03 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.9 m-20 -76.19 -39.87 53.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.88 -7.26 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.8 mt -52.36 -58.67 10.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.739 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.73 -39.34 6.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 29.4 m-85 -68.94 -3.16 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' SER . 51.3 m -116.54 -36.94 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 72.1 p -36.34 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . 26.7 p -73.64 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -42.38 89.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CE3' HD13 ' A' ' 53' ' ' LEU . 72.5 t-105 -52.87 -36.32 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -25.05 67.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.51 -32.3 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' CE3' ' A' ' 50' ' ' TRP . 14.4 mt -51.42 158.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLU . 42.0 mtt85 -105.16 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ARG . 36.6 tt0 -36.28 -46.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -55.69 -54.37 45.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CD ' HD23 ' A' ' 53' ' ' LEU . 5.8 mt-10 -55.57 -52.83 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -49.11 -48.65 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.8 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -50.57 -51.56 47.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -58.29 -46.99 85.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.425 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -60.24 -42.46 95.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.19 -56.05 26.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 9.3 ptp -56.16 -31.46 63.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -68.61 -56.61 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -54.8 -53.89 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.13 -41.36 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -57.22 -56.56 20.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -56.66 -43.49 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.88 -48.3 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.98 60.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ALA . 18.9 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.935 0.397 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -37.07 -48.27 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -56.36 -46.72 79.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 3.5 t80 -59.81 -41.49 91.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 4.6 m-85 -63.07 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -74.34 -40.25 62.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 39' ' ' VAL . 55.6 t -68.83 -43.56 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.44 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.6 1.11 17.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -116.44 -24.86 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -40.56 -57.86 2.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.3 Cg_endo -69.82 -21.31 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -72.41 -31.46 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.41 -44.54 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -42.62 -40.6 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -70.08 -40.34 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt-85 -56.8 -42.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 42.33 0.38 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.23 141.79 39.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.643 0.735 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.62 105.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.99 -39.19 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -143.61 173.97 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 22' ' ' VAL . 81.0 t -46.23 -53.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.54 -38.27 4.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.9 m-20 -76.26 -37.83 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.34 12.34 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.22 -58.03 6.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.694 0.759 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.7 -39.16 6.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-85 -64.5 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 87.5 m -129.53 31.62 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -93.46 -25.64 17.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.4 t -85.03 -33.97 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -44.41 30.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD13 ' A' ' 53' ' ' LEU . 62.3 t-105 -58.04 -34.79 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.31 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.52 -33.63 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' CE3' ' A' ' 50' ' ' TRP . 16.6 mt -52.34 153.77 2.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -96.18 165.57 12.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -50.38 -50.79 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -51.59 -47.77 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.99 -56.06 27.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -49.15 -45.56 43.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -60.58 -49.92 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.08 -51.99 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -58.55 -41.76 86.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.452 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -64.49 -41.81 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.78 -55.07 33.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.6 ptp -57.81 -33.49 68.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -66.72 -55.23 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -56.03 -55.45 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -56.35 -41.7 76.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -58.11 -49.07 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.5 -49.53 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.23 -57.48 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -78.05 85.66 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -159.08 128.87 5.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -170.22 1.04 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -100.85 140.8 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -156.31 164.65 38.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.49 127.49 4.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 mtm -132.17 144.26 52.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 120.12 6.96 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -163.27 112.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -82.75 94.14 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -88.18 140.14 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.31 66.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.428 ' HB3' ' NE ' ' A' ' 69' ' ' ARG . 61.6 m -72.31 145.82 47.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 9.3 mpt_? -74.56 110.41 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 19' ' ' TYR . 17.9 m120 -107.33 168.89 8.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.51 -46.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.62 -42.52 99.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' CE1' ' HG2' ' A' ' 15' ' ' ARG . 2.8 t80 -63.05 -43.24 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.76 -41.46 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.89 -42.32 98.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG1' HG11 ' A' ' 39' ' ' VAL . 52.3 t -68.84 -41.03 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -53.85 -41.48 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.93 7.89 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -120.09 -17.24 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.3 mt -48.18 -57.8 9.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.551 0.691 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.2 Cg_endo -69.78 -21.89 32.76 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.86 -39.76 69.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.11 -40.05 60.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -48.55 -45.31 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -67.71 -41.05 84.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -53.36 -39.54 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.38 41.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.0 mt -127.23 144.19 49.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 87.92 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.288 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.24 105.25 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.18 -41.22 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -138.35 -178.69 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG11 ' CG1' ' A' ' 22' ' ' VAL . 54.9 t -55.73 -53.32 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . . . -43.72 -32.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.83 -41.41 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.85 10.24 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 mt -66.12 -58.46 10.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.85 -41.56 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -60.67 -10.67 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.37 31.2 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -86.87 -35.49 18.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.89 -32.12 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.54 -37.99 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.476 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 62.6 t-105 -65.01 -37.94 89.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.45 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.8 mt -73.07 -31.97 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 13.9 mt -54.18 157.51 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -100.3 155.74 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -40.99 -46.92 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.16 -47.8 71.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.15 -54.15 45.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -49.82 -46.01 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -63.77 -37.95 89.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -60.55 -50.67 72.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -65.19 -36.76 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.14 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.01 -53.15 13.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.4 ptm -60.84 -34.9 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.79 -49.28 54.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -58.52 -50.93 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.13 -34.45 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -63.54 -47.8 80.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' NE ' ' HB3' ' A' ' 14' ' ' SER . 7.3 mtp-105 -66.76 -40.84 88.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.37 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.22 75.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -86.16 -67.73 1.37 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.564 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' GLY . 20.3 mtmt -34.47 -44.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.9 144.07 48.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -16.56 37.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.602 2.202 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.6 171.11 33.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 157.24 60.89 Favored 'Trans proline' 0 N--CA 1.466 -0.122 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 m -166.74 110.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -127.57 136.7 52.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.75 161.13 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -174.84 148.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.89 143.98 27.75 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.535 0.683 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.57 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.6 p -127.58 137.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.2 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -152.17 118.29 5.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.9 m -156.07 139.73 16.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -149.72 146.63 27.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.42 20.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 149.1 66.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.304 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 m -127.57 32.38 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -105.5 162.24 13.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -110.85 151.9 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -62.07 -53.87 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.76 -44.49 2.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -84.21 130.58 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.814 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 m -93.26 107.85 19.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.23 151.95 18.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -109.75 142.81 26.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.81 26.07 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.74 130.16 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -2.47 21.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -79.64 128.72 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.42 143.15 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -148.55 164.42 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -49.75 153.35 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.9 t-20 -163.49 169.4 18.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 61' ' ' TYR . . . -34.04 -45.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.62 -58.76 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -44.17 -43.84 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.57 -40.06 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' CG1' HG13 ' A' ' 39' ' ' VAL . 49.6 t -72.73 -34.16 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.46 -33.15 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -86.28 6.29 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -120.47 -14.38 8.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -50.28 -58.64 9.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 111.168 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.0 Cg_endo -69.87 -22.03 32.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -71.98 -36.32 69.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.98 -38.77 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -49.04 -45.89 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -61.69 -39.39 91.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -58.93 -41.36 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.25 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.2 mt -129.09 143.74 49.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 82.8 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.585 2.19 . . . . 0.0 112.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.76 92.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.86 -36.78 21.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -136.95 -177.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' CG1' ' A' ' 22' ' ' VAL . 22.3 t -61.62 -50.72 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.06 -23.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.71 -37.93 16.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.13 4.55 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -60.81 -58.05 22.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.75 -48.12 0.79 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -54.99 -16.09 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 83.2 m -129.41 31.89 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.9 p -83.56 -46.23 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -72.81 -34.55 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.8 -37.55 84.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.652 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 58.5 t-105 -65.93 -39.64 90.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.27 -14.71 57.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.87 -23.62 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 3.8 mt -54.23 160.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -98.78 149.56 22.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -42.49 -46.79 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -54.85 -46.94 74.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CB ' HD22 ' A' ' 53' ' ' LEU . 4.7 mm-40 -60.82 -53.94 51.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 59.2 mttt -50.61 -46.97 58.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.9 -48.48 81.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -53.06 -53.92 43.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 17' ' ' ALA . 34.8 m-85 -57.01 -40.76 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.6 95.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.19 -55.31 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.2 ptp -58.9 -34.43 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.97 -54.4 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 22.4 mtm105 -56.27 -54.4 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.06 -40.23 73.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.31 -48.77 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -64.05 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.35 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.88 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -71.55 -22.92 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.8 -40.79 4.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -84.98 39.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.837 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -145.34 143.6 20.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -17.89 37.17 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.23 83.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.8 Cg_endo -69.74 -5.51 16.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' PRO . 34.2 t -38.03 138.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.16 -74.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mttt 57.0 52.18 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.9 120.59 5.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 151.48 78.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 91.47 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.19 128.85 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -112.07 80.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.9 p -137.79 122.8 19.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -148.12 148.43 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.42 147.59 5.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.7 p -84.71 82.53 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 p -93.54 138.32 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.0 t -34.59 -58.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -51.44 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.67 112.15 2.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -41.83 152.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -50.02 154.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.795 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.9 -42.89 0.11 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.9 mtt -62.31 143.85 95.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 165.39 31.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ARG . 32.7 m-20 -110.37 -52.55 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' CG ' ' HD2' ' A' ' 12' ' ' LYS . 10.7 ptp180 -35.62 -39.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 9.8 mptt -66.36 118.52 10.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 135.95 57.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -170.61 169.44 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 71.3 mtt85 -68.81 121.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -130.33 -179.35 5.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.16 -37.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.46 -56.56 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 12.2 t80 -48.91 -45.72 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.8 m-85 -60.13 -42.29 94.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 53' ' ' LEU . 68.7 t80 -64.11 -46.75 82.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.75 -46.71 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -53.56 -41.54 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.68 9.07 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -119.75 -24.1 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -42.85 -58.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.666 0.745 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.69 -23.63 30.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.75 -39.02 73.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.05 -42.67 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 14.2 mtp-105 -46.27 -47.69 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -70.41 -36.05 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -55.77 -44.11 77.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.96 44.12 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -132.44 143.86 50.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.397 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.92 105.64 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.53 -40.08 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -141.36 175.44 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 24.8 t -50.9 -43.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.51 -39.28 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.1 m-20 -74.44 -37.96 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.28 -13.14 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.9 mt -47.53 -58.41 7.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 27.3 m-85 -59.97 -12.39 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 86.1 m -108.32 -35.72 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' CYS . 51.7 p -36.05 -34.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' CYS . 37.0 m -72.88 -53.02 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.79 -47.64 84.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 53' ' ' LEU . 69.4 t-105 -52.82 -38.41 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.75 -19.23 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.5 -29.8 37.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 50' ' ' TRP . 7.5 mt -53.4 158.04 1.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -97.77 155.9 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -45.14 -43.86 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.29 -48.67 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CB ' HD22 ' A' ' 53' ' ' LEU . 28.5 mm-40 -58.96 -53.92 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -53.31 -46.11 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.29 -41.49 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -61.87 -49.1 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.88 -36.82 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.89 -37.7 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.42 -34.74 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.72 -54.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -57.51 -56.82 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.52 -35.04 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.461 ' CE2' ' HG3' ' A' ' 72' ' ' GLN . 70.9 t90 -65.07 -51.53 60.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -58.58 -38.68 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.52 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.13 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 63.3 mm-40 -72.46 -26.52 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.7 70.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 75' ' ' ASP . 37.1 tttt -49.19 156.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 19.7 t70 -49.66 139.97 15.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.2 Cg_endo -69.78 1.87 4.05 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.88 169.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.546 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 124.2 10.85 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.9 p -78.33 164.09 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.8 170.51 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.44 150.95 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.89 133.05 34.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -105.68 152.97 40.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.529 0.68 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 176.71 6.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.29 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.9 t 63.92 40.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -152.72 115.71 4.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -144.56 141.87 29.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -87.65 -51.64 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.21 79.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 92.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.264 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -94.93 94.73 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 m -124.36 155.29 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.497 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -90.26 112.5 24.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.84 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -145.74 156.05 43.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.97 -100.73 0.17 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -46.14 -49.68 16.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -124.62 146.66 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.92 103.63 0.83 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 152.46 66.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.501 0.667 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.12 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -51.4 101.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -81.86 47.65 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -131.73 169.63 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.06 90.82 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -129.3 92.96 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 40.2 mtt-85 -63.28 115.12 4.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -120.1 179.2 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB2' ' N ' ' A' ' 62' ' ' ALA . . . -40.46 -44.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -58.11 -51.0 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 15' ' ' ARG . 86.4 t80 -52.95 -48.59 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 65' ' ' ALA . 7.0 m-85 -59.26 -38.67 80.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -64.9 -50.52 66.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG1' HG13 ' A' ' 39' ' ' VAL . 95.4 t -61.9 -33.1 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' NE2' HG23 ' A' ' 39' ' ' VAL . 7.2 tp-100 -63.99 -41.09 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.17 10.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -120.16 -25.69 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -38.94 -58.71 1.63 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.9 Cg_endo -69.71 -22.62 32.08 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.658 2.239 . . . . 0.0 112.411 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.06 -41.86 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.4 -37.99 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -50.23 -40.22 46.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -74.0 -37.56 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -56.59 -44.27 80.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.43 47.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -129.68 143.53 49.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -122.69 111.19 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.57 -35.44 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -140.4 174.29 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 ' CG1' ' A' ' 22' ' ' VAL . 77.0 t -51.96 -49.11 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.93 -35.92 25.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.8 m-20 -73.36 -34.67 65.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -86.94 -9.65 55.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 mt -47.2 -57.84 8.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.79 -34.83 13.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 17.2 m-85 -79.21 11.41 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' SER . 35.0 m -128.15 -41.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' CYS . 35.0 t -35.14 -44.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -57.88 -57.74 11.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 -38.91 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 73.7 t-105 -57.94 -40.88 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.13 -34.01 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.567 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 15.1 mt -55.25 155.91 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.29 167.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -51.65 -46.36 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -50.24 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.795 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.37 -54.79 43.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -50.29 -47.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.5 -46.12 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -55.65 -51.73 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.14 -42.52 86.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.28 -42.4 93.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.81 -54.07 50.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.0 ptp -60.24 -32.45 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . . . -66.62 -53.11 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -59.18 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.97 -42.29 84.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.403 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 55.2 t90 -61.79 -46.67 88.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -60.28 -39.49 87.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.57 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.13 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.92 -26.73 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -88.17 -61.27 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' GLY . 15.8 tppt? -35.37 124.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.744 0.307 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 11.1 t70 -129.09 139.77 36.66 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -0.0 6.3 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.253 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.15 -95.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 95.7 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.5 p -162.49 125.21 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -154.56 161.33 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -52.07 140.33 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.92 161.51 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -112.27 144.97 31.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 107.72 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.3 119.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -111.25 130.85 55.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 90.6 m -60.63 -57.96 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -90.87 155.31 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.5 41.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -12.18 32.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.632 2.222 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.5 m 50.67 46.53 25.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -109.48 107.63 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.446 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -94.44 96.56 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -74.73 96.06 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.48 -45.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -109.33 -51.6 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -167.14 174.41 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.86 -94.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -136.24 144.2 46.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 132.73 23.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -152.97 108.06 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.21 83.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -109.3 112.99 25.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.6 95.42 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -123.01 169.39 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -91.53 146.89 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ALA . 6.0 t-20 -163.96 166.62 21.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -34.7 -44.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.69 -53.01 62.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -51.89 -49.62 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 9.4 m-85 -57.99 -33.77 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.46 -45.46 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.68 -32.48 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -63.96 -34.28 77.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.39 5.91 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -117.46 -21.47 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.3 mt -42.02 -58.06 3.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.71 -22.68 31.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.91 -37.94 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.98 -37.48 39.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -52.2 -36.1 51.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.69 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -63.88 -39.02 93.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.37 44.61 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.2 mt -131.07 142.31 45.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' CG ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -135.41 121.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.54 -20.96 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -163.08 174.13 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' N ' HD13 ' A' ' 26' ' ' ILE . 21.3 t -45.53 -53.7 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.95 -39.27 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t0 -74.01 -40.55 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.58 5.87 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.59 18.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.75 -40.03 5.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.24 -7.49 9.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 33.1 m -113.51 -31.25 6.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 4.8 t -36.83 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 67.5 m -76.0 -53.43 8.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.97 -41.81 99.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.3 t-105 -59.71 -36.19 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.01 -18.84 65.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 mt -80.25 -30.25 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.8 mt -53.56 158.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -102.62 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -48.05 -47.82 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -53.42 -52.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' CB ' HD21 ' A' ' 53' ' ' LEU . 3.4 mm-40 -55.05 -57.0 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.64 -46.49 28.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -59.44 -51.21 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.66 -51.61 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.439 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 26.0 m-85 -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.442 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 3.3 tp10 -62.79 -55.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.5 ptp -58.94 -32.78 69.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.35 -44.26 79.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -67.16 -36.82 82.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 12.7 mt-10 -67.62 -43.37 80.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -65.56 -46.65 78.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -60.24 -45.1 94.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.68 -51.9 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.66 75.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -77.17 -25.04 51.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.18 -59.27 3.16 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' ASP . 17.5 ptmt -88.56 38.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 1.4 t70 -37.93 141.21 0.51 Allowed Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.84 -15.53 36.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.72 -95.48 0.6 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.473 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 112.45 3.06 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.3 p -86.81 133.82 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.65 155.2 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -157.22 123.22 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -74.53 175.44 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 14.3 ttmt -131.08 140.64 39.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.49 0.662 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' LYS . 53.4 Cg_endo -69.72 152.87 69.62 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.92 -33.12 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -174.14 127.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.1 m -128.94 141.19 51.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 t -135.81 134.42 38.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.86 -159.86 28.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.638 2.226 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -168.67 162.65 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 82.55 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -79.8 82.3 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m 48.21 52.3 13.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.4 129.15 4.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 139.58 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -65.68 175.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.41 56.12 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.5 mtt -120.36 143.85 36.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 131.24 20.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -57.89 123.95 17.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -126.32 156.41 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.21 83.74 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.93 147.77 22.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.4 p -106.1 -43.65 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -85.61 133.83 34.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ALA . 13.7 m120 -148.64 172.21 14.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.17 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -61.5 -51.36 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.76 -45.79 67.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.9 m-85 -61.33 -38.75 88.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -70.73 -41.91 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG13 ' CG1' ' A' ' 39' ' ' VAL . 44.5 t -69.4 -37.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -62.76 -35.66 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.77 1.23 39.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -112.02 -16.29 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -51.12 -57.85 12.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.7 Cg_endo -69.79 -23.88 30.15 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.27 -37.73 74.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.74 -41.06 46.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -46.15 -42.87 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 15.5 mtp-105 -73.14 -34.46 66.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -57.67 -44.06 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 42.98 0.35 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.7 mt -127.12 144.09 49.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.13 129.2 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.01 -32.29 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.84 -178.87 6.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' N ' HD12 ' A' ' 26' ' ' ILE . 68.4 t -50.85 -54.96 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.85 -29.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 75.9 m-20 -86.71 -40.23 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.0 2.81 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.1 mt -62.76 -58.72 15.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 52.9 Cg_endo -69.85 -43.51 2.54 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 25.9 m-85 -61.93 -8.6 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' SER . 94.3 m -117.05 -29.43 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 p -38.62 -31.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' CYS . 35.9 p -75.85 -53.27 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.47 -44.45 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.4 t-105 -57.0 -36.33 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.23 -12.82 62.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.49 -22.24 23.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 8.0 mt -58.95 158.71 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.59 162.7 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.18 -50.04 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -54.51 -44.43 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HD21 ' A' ' 53' ' ' LEU . 6.3 mm-40 -60.13 -56.62 19.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -51.93 -40.06 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.7 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.95 -42.93 84.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -68.35 -32.81 73.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.52 -49.12 76.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 24.0 ptm -60.1 -45.41 93.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -59.85 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -57.08 -48.86 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -57.56 -38.69 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -64.6 -46.89 80.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -63.1 -45.66 91.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.98 96.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.31 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -77.56 -25.7 50.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 71.84 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -71.8 149.54 45.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.76 143.87 28.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -17.59 37.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.44 146.31 4.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 108.22 2.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.595 2.197 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t 54.55 40.97 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -144.25 154.98 43.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -140.26 176.28 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -155.35 135.55 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 143.97 92.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 177.22 5.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.2 t -97.78 105.07 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -53.29 124.92 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -151.67 155.18 37.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -144.34 114.82 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.82 -95.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.72 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 t 60.14 33.84 21.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -92.76 -43.95 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -125.7 -51.12 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.794 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -93.11 117.87 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.78 -125.53 7.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -163.13 164.32 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -169.86 137.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.27 -123.54 5.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.8 ptm -155.92 143.74 14.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.628 2.218 . . . . 0.0 112.445 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -105.11 134.05 48.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -65.6 103.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -133.8 111.4 10.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.59 129.7 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 m -113.9 125.9 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -105.15 149.7 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -160.92 159.28 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -33.29 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -65.19 -53.58 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 39' ' ' VAL . 59.1 t80 -50.87 -46.96 60.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.5 m-85 -56.4 -44.0 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE1' HD11 ' A' ' 53' ' ' LEU . 77.6 t80 -64.27 -48.04 77.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.8 -38.36 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -60.36 -41.68 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.86 8.15 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -120.08 -23.12 6.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -41.35 -58.46 2.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 111.153 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.5 Cg_endo -69.7 -21.17 34.16 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.764 2.31 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.27 -36.63 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD11 ' CB ' ' A' ' 45' ' ' TYR . 95.8 mt -80.31 -40.43 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -48.77 -41.17 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -71.05 -42.54 69.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -52.44 -40.48 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.67 45.6 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.01 143.44 48.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 85.1 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.06 108.98 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.61 -40.07 8.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -139.59 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 19' ' ' TYR . 65.3 t -48.75 -51.81 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.4 -37.3 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -77.74 -39.03 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.58 5.85 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -66.17 -58.19 11.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.75 -44.97 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 30.4 m-85 -57.63 -12.66 3.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 75.9 m -110.34 -30.04 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.2 p -34.93 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.3 t -72.01 -55.99 6.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -57.43 -47.1 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.8 t-105 -58.61 -36.34 73.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.03 -8.9 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.68 -23.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 5.8 mt -56.81 156.74 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -94.7 156.11 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -46.6 -44.99 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.07 -47.17 81.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CB ' HD22 ' A' ' 53' ' ' LEU . 32.9 mm-40 -59.2 -55.34 36.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -52.16 -45.95 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.15 -41.65 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -61.24 -49.48 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -59.63 -37.35 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -68.54 -40.09 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.46 -49.38 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 ptm -65.39 -28.99 69.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -70.71 -60.14 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -56.94 -56.56 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 68' ' ' TRP . 7.3 pt-20 -53.4 -43.89 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.421 ' N ' ' CG ' ' A' ' 67' ' ' GLU . 65.2 t90 -57.98 -49.64 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -42.52 88.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.86 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.79 -36.59 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -74.65 -21.64 59.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.96 -56.82 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -85.91 119.58 26.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 2.5 t70 -174.59 140.7 0.71 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.8 -3.92 13.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.86 84.03 0.37 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -40.29 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.64 2.227 . . . . 0.0 112.274 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -52.01 104.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.25 145.28 29.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -115.92 123.35 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -163.84 146.81 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -138.74 143.97 39.95 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.93 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.9 t -88.32 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -166.92 134.36 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 t -48.03 133.89 14.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -56.94 132.26 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.82 83.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 150.33 67.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.1 p -113.22 -54.35 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.4 t -66.36 81.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 52.1 p 34.5 42.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -54.1 -46.05 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.8 41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -87.92 92.79 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -53.43 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.81 173.39 13.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -136.94 145.57 51.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.533 0.682 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 179.63 3.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.407 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -151.56 154.76 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 1.1 tpm_? -172.28 113.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.5 tttm 62.98 42.42 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.82 175.62 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.999 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -52.55 174.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -66.46 123.68 20.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 m-80 -126.17 175.73 7.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -37.54 -35.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -69.93 -48.09 59.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ASN . 21.4 t80 -58.26 -41.72 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.6 m-85 -61.79 -40.45 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.91 -48.28 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.29 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -44.97 78.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.98 8.89 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -119.68 -18.57 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -46.07 -57.74 7.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -25.77 28.11 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.08 -24.89 63.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 14.3 mt -91.14 -43.38 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -49.98 -33.18 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -75.74 -36.35 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -60.71 -40.33 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.59 39.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.18 142.84 41.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.83 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.91 107.26 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.96 -31.51 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -137.04 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' N ' HD12 ' A' ' 26' ' ' ILE . 97.3 t -56.11 -53.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.12 -30.86 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.24 -39.39 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -88.48 6.17 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -61.63 -58.62 17.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.72 -40.07 5.82 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.743 2.295 . . . . 0.0 112.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.88 -6.75 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 m -120.75 -19.31 7.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -46.13 -23.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.7 p -86.4 -41.54 14.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.96 -41.77 81.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 65.2 t-105 -61.55 -36.11 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.46 66.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.82 -32.37 40.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 11.5 mt -49.57 149.45 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -91.79 159.13 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -46.15 -49.31 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.54 -46.63 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' CB ' HD23 ' A' ' 53' ' ' LEU . 5.2 mm-40 -58.99 -56.2 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 58.9 mttt -48.99 -47.99 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.69 -50.67 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.83 -52.87 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -56.5 -42.51 78.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -60.03 -50.53 73.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 8.0 ptp -63.69 -33.61 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.35 -58.71 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.34 -57.56 12.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -52.05 -31.83 31.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -69.84 -52.03 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.28 -43.58 92.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.18 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.63 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -74.34 -25.96 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.43 -73.05 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -73.43 131.29 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 21.5 t70 -87.67 140.0 31.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.9 Cg_endo -69.76 -19.83 35.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.92 170.63 13.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.79 36.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -72.82 157.3 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -92.25 136.09 33.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' GLN . 1.6 tmtt? -171.7 148.01 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' LYS . 38.0 tt0 -35.08 102.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -136.97 137.43 23.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 83' ' ' LYS . 53.8 Cg_endo -69.77 -164.2 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.45 104.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -42.84 142.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -112.75 88.94 2.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -48.02 146.92 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.99 152.32 20.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.619 2.213 . . . . 0.0 112.363 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 t -173.77 171.08 3.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.4 m -110.63 164.95 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -136.61 125.45 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -66.62 93.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.35 132.51 1.47 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.568 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -169.24 119.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -45.41 -57.64 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.805 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.75 -127.51 8.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.573 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -126.51 134.93 26.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.539 0.685 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -173.06 121.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' NE ' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -145.29 128.95 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -116.06 93.18 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.67 164.83 36.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 t -85.07 -52.26 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.42 107.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.3 t-20 -123.61 -177.8 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -37.52 -46.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -58.49 -51.79 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -53.61 -43.94 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.4 m-85 -64.87 -32.78 74.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.26 -41.97 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.31 -36.91 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.14 -42.5 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -78.38 0.55 25.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -110.31 -21.63 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -40.91 -58.65 2.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.82 -25.2 28.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -69.35 -41.34 76.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.88 -39.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 72.1 mtp180 -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -64.11 -39.07 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' NH2' HD12 ' A' ' 34' ' ' LEU . 30.8 mtm180 -58.79 -41.64 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 29.23 1.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.556 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' NH2' ' A' ' 32' ' ' ARG . 80.5 mt -108.77 144.05 28.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -128.01 113.27 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.53 -37.61 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -139.42 -175.66 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.44 -52.23 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.92 -32.73 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 5.3 m-20 -76.18 -42.06 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.27 24.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -65.81 -58.76 10.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.69 -45.58 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.3 m-85 -56.59 -13.04 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' SER . 39.0 m -110.62 -30.58 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 49.2 p -35.7 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.6 m -77.23 -52.33 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.71 -44.45 93.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.5 t-105 -54.4 -36.47 63.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -17.9 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.99 -28.93 39.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 17.2 mt -58.3 159.68 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -107.57 164.39 12.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.8 -47.38 10.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -54.12 -52.54 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.49 -55.36 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -50.2 -45.04 53.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.12 -49.47 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -53.99 -51.69 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -57.13 -41.81 79.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -66.19 -39.26 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.49 -52.05 65.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.9 ptm -63.14 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -67.76 -58.28 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -59.26 -56.87 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.1 -39.25 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -64.31 -51.91 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.12 -46.34 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.85 53.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.57 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -68.29 -26.63 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.06 44.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -132.92 73.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.25 144.08 62.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.81 37.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.604 2.203 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.46 -158.45 24.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.48 45.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.386 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -116.88 99.13 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -76.1 170.46 16.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -103.52 48.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -124.31 99.66 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 8.1 pttm -132.91 81.79 57.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 149.59 67.11 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -125.74 128.56 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -75.52 148.98 38.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.3 m -118.29 125.4 50.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.1 p -86.42 152.02 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.48 74.09 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 1.48 4.33 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.666 2.244 . . . . 0.0 112.399 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m 57.14 49.52 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.2 p -82.47 169.67 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -105.11 104.76 14.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p 45.44 42.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.95 47.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -172.01 128.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -69.31 142.26 54.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.84 -165.76 24.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 ptp -110.71 143.81 28.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.2 50.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.302 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -63.16 167.92 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 88' ' ' SER . 26.9 ttt-85 -119.68 -57.91 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.18 101.16 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.99 176.5 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.5 p -169.83 156.87 6.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -66.14 150.66 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ALA . 27.6 m120 -159.92 171.27 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -35.3 -44.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -56.32 -54.44 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -49.79 -50.99 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.513 ' CE1' ' HB1' ' A' ' 65' ' ' ALA . 8.1 m-85 -58.02 -39.34 78.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.49 -51.85 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG13 ' CG1' ' A' ' 39' ' ' VAL . 63.0 t -60.45 -42.91 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -53.69 -41.9 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.75 12.57 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -123.39 -22.96 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -41.15 -58.72 2.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.4 Cg_endo -69.75 -22.58 31.91 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.26 . . . . 0.0 112.332 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -72.42 -39.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.37 -42.41 25.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CG ' HG23 ' A' ' 36' ' ' VAL . 34.4 mtp180 -46.71 -45.57 19.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.59 -37.84 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -53.19 -43.91 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.87 42.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -130.07 143.33 48.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 84.47 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 ' CG ' ' A' ' 30' ' ' ARG . 2.0 m -126.36 108.63 19.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.87 -34.25 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -143.26 171.29 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' HG13 ' A' ' 22' ' ' VAL . 71.9 t -48.49 -49.13 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.84 -38.42 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 4.9 m-20 -73.84 -36.75 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.57 -14.23 55.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 mt -46.58 -58.12 7.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.75 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.6 Cg_endo -69.76 -36.38 10.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 21.0 m-85 -75.88 6.03 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 5.2 m -117.73 -40.33 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' CYS . 84.2 p -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' CYS . 20.9 m -63.75 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -39.72 81.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 76.1 t-105 -58.67 -43.05 89.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.57 -22.8 64.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 mt -78.45 -32.34 48.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.501 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 14.1 mt -52.25 151.91 3.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -93.7 162.66 13.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.61 -48.32 49.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.05 -46.31 75.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.18 -54.58 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -50.4 -47.79 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.88 -46.74 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -55.02 -52.27 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.83 -42.89 85.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -64.82 -42.18 95.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -60.2 -54.87 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 2.5 ptp -58.82 -33.7 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 20' ' ' PHE . . . -67.26 -48.19 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -61.4 -47.73 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.18 -41.24 92.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.481 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 47.6 t90 -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 19.6 mmm-85 -62.35 -40.08 95.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.88 -48.95 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.63 86.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.427 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 80.8 mm-40 -70.84 -26.65 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.04 -51.84 4.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.67 98.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -109.39 140.17 21.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.664 0.745 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -0.16 6.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.86 140.03 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.7 Cg_endo -69.82 -1.62 8.82 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' PRO . 24.9 t -37.01 -65.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -158.84 164.68 35.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -101.63 -48.31 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.33 153.42 21.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -72.98 140.14 80.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 116.4 4.55 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.9 129.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -100.97 124.06 46.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -98.37 97.35 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.428 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 21.6 m -62.53 155.33 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 -162.47 16.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.34 38.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -76.44 -49.49 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m 49.17 42.39 21.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -54.06 109.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -158.26 132.81 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.62 -96.49 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -138.74 173.63 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -82.47 151.92 26.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.32 -125.46 5.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.472 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 6.2 ttt -132.19 140.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 8' ' ' MET . 54.7 Cg_endo -69.75 127.7 14.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.73 2.287 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -102.73 161.97 13.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -141.24 169.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mttt 46.92 45.15 15.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 153.56 41.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.1 m -102.41 -43.53 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -105.49 130.87 53.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -142.67 179.32 7.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.2 -47.09 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -56.31 -53.31 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.62 -48.44 69.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -56.96 -39.84 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.467 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 t80 -69.45 -54.83 12.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.16 -37.09 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.33 -35.39 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -82.44 7.31 14.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HE3' ' CZ ' ' A' ' 21' ' ' PHE . 60.9 mmtt -117.7 -22.15 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -38.86 -58.62 1.63 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -22.88 31.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.77 -29.67 64.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' ARG . 20.3 mt -84.03 -43.74 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -44.28 -39.48 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -75.65 -30.56 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.7 mtt180 -63.42 -42.81 98.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.28 43.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.4 mt -130.2 142.8 46.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.65 114.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.57 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -144.87 -178.38 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' N ' HD12 ' A' ' 26' ' ' ILE . 78.4 t -55.23 -56.07 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.93 -30.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.79 -44.15 19.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.33 5.86 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -63.99 -58.13 15.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.9 Cg_endo -69.73 -42.39 3.47 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.71 -10.65 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' SER . 6.1 m -111.76 -26.5 8.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' CYS . 8.3 t -38.09 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' CYS . 69.4 m -78.36 -52.28 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.19 -46.99 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.547 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.0 t-105 -55.52 -33.82 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.18 -20.91 62.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.21 -22.11 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.547 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.5 mt -62.73 163.76 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -109.12 163.36 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -45.93 -45.03 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -55.45 -49.82 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' CB ' HD22 ' A' ' 53' ' ' LEU . 5.6 mm-40 -58.73 -53.77 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -52.66 -45.56 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.96 -41.07 97.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -59.5 -50.53 73.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -61.57 -37.8 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.62 81.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.3 -53.99 24.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 ptm -62.0 -32.03 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.79 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -58.07 -55.44 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.83 -37.77 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -62.99 -52.13 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -56.79 -44.95 82.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.18 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.73 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.73 -19.94 40.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.44 -47.06 7.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt 45.6 44.8 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.99 146.59 55.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 110.947 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -9.04 25.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.98 147.2 22.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.1 t -71.21 155.59 40.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.95 158.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -112.59 117.49 32.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -84.71 99.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -168.19 134.2 1.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.663 0.744 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 165.08 32.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.794 2.329 . . . . 0.0 112.302 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.02 140.38 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 87' ' ' THR . 93.4 t80 -156.06 164.64 38.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 86' ' ' PHE . 50.4 p -124.47 129.26 50.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -125.18 97.74 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.35 148.6 24.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 156.42 63.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -85.5 -41.93 14.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -59.77 -178.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -56.51 178.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -86.1 -36.21 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.73 78.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -156.31 150.8 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -100.81 -29.01 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.93 167.69 27.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -83.02 143.77 46.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.15 7.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -79.34 83.91 5.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -121.2 -55.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -60.61 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.24 122.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 m -148.78 112.36 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.811 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -124.43 133.6 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.5 t-20 -144.15 174.14 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -36.05 -48.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -58.37 -53.0 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -48.18 -50.05 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 9.4 m-85 -58.26 -42.37 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.39 -53.43 57.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.09 -35.27 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.1 -39.21 85.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -82.64 5.19 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.79 -18.93 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.6 mt -46.69 -57.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.581 0.705 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.1 Cg_endo -69.75 -23.75 30.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.412 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.48 -40.18 70.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -75.68 -35.24 60.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -57.28 -36.86 71.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -79.99 -29.83 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 143.89 50.97 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.23 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.06 122.57 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.44 -28.77 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -165.09 173.96 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ILE . 24.8 t -38.49 -62.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -36.87 -40.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.24 -42.35 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . -81.96 1.66 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.1 mt -59.75 -58.75 17.14 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.663 0.744 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 52.8 Cg_endo -69.83 -37.51 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.286 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -70.04 -0.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' SER . 24.4 m -118.65 -33.77 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.0 p -37.56 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' CYS . 52.8 p -73.62 -53.96 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.14 -42.48 99.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.533 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.8 t-105 -57.78 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.17 -14.39 62.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.81 -23.88 25.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 18.3 mt -61.1 159.25 12.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -106.75 162.96 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -46.49 -47.83 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.31 -51.94 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -56.49 -54.49 45.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -49.79 -46.83 51.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.63 -52.77 64.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -50.47 -54.87 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -54.81 -41.28 70.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.46 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -66.15 -41.32 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.34 -49.99 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.5 ptp -64.73 -32.05 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.72 -57.31 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 66' ' ' ARG . 4.5 ptp180 -58.89 -55.67 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -52.03 -42.33 62.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.3 -51.16 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -57.83 -41.39 82.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.03 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.38 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -79.71 -25.97 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.57 76.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -50.04 162.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 12.3 t70 -100.56 139.78 20.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 54.0 Cg_endo -69.71 -0.72 7.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.89 -161.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -0.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.731 2.288 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.8 p -57.29 159.96 4.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.39 149.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 105.31 11.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -101.12 150.58 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 143.86 29.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.583 0.706 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.62 61.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -98.91 116.58 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.95 157.74 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.9 t -170.0 158.2 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -112.01 155.79 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.83 146.26 18.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 103.07 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.219 . . . . 0.0 112.326 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 p -41.62 -38.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.6 m 55.34 37.3 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -159.86 160.08 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -71.79 124.11 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 57.06 41.42 27.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -148.7 176.16 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.806 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.41 -140.54 7.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 ptm -53.77 150.8 12.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.712 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -18.31 37.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.254 . . . . 0.0 112.343 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 119.58 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -155.72 152.96 29.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -92.8 173.71 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.78 115.33 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -135.98 145.45 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -55.93 113.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' TYR . 21.1 m120 -121.3 173.24 7.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -34.68 -49.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -54.05 -45.65 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -62.28 -43.95 97.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -64.31 -27.54 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -80.17 -36.95 34.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -73.35 -41.46 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -39.15 82.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.09 9.47 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -121.7 -24.07 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -43.31 -57.86 4.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.729 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.277 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.13 -33.67 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.2 -47.56 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtp85 -39.81 -43.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -69.81 -40.5 75.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -55.69 -41.01 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.12 42.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -125.84 144.14 47.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.545 0.688 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 88.21 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.571 2.181 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.45 106.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.87 -42.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -139.57 -178.07 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' ILE . 54.8 t -55.49 -50.56 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.22 -28.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -42.92 15.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.04 7.61 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -67.37 -58.66 8.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.2 Cg_endo -69.7 -42.38 3.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.91 -11.38 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.88 17.98 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 97.0 p -70.04 -44.98 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -73.86 -40.73 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.27 -36.84 73.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 66.3 t-105 -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.93 -11.81 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -85.98 -22.3 27.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 7.4 mt -60.93 158.16 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -92.44 155.9 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -46.84 -47.02 21.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.8 -45.48 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' CB ' HD22 ' A' ' 53' ' ' LEU . 23.6 mm-40 -59.69 -55.15 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -50.65 -47.06 58.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.61 -48.21 81.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.35 -52.16 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . 22.2 m-85 -57.29 -42.06 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -65.31 -44.6 87.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.73 -50.78 72.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -61.64 -33.92 74.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.59 -59.55 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 3.6 ptm180 -60.13 -56.9 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.08 -34.79 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -68.55 -52.91 26.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' NH2' ' HA ' ' A' ' 66' ' ' ARG . 25.8 mtm105 -60.56 -41.45 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.06 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -75.09 -24.45 58.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.8 -35.66 7.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 28.9 mttm 51.98 42.26 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 1.8 p30 -36.46 151.92 0.1 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -6.35 18.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.06 83.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.87 31.74 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -94.21 171.19 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -99.07 152.64 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -106.07 169.85 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -162.4 120.84 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -106.4 89.44 4.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -141.27 141.98 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -128.19 114.79 17.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m 67.93 42.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.3 p -38.73 140.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.27 148.62 40.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.71 -46.16 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' PRO . 6.2 t -35.77 -50.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.7 t 66.24 45.51 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.517 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -124.89 -53.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -75.2 128.66 35.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.74 83.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.445 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -75.57 -46.57 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -99.22 135.18 41.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.53 73.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.468 ' CE ' ' HD2' ' A' ' 9' ' ' PRO . 6.3 tpt -134.38 132.91 21.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 53.3 Cg_endo -69.72 161.61 45.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -117.75 -45.47 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttm105 -121.35 143.88 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -132.86 -176.58 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -131.03 -47.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . 36.4 m -35.47 -65.54 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -131.07 119.12 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.6 m120 -129.78 170.5 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' N ' ' A' ' 62' ' ' ALA . . . -34.34 -49.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.06 -48.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 5.7 t80 -55.84 -46.19 78.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.82 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -64.66 -47.87 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.86 -42.21 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.57 8.63 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -121.11 -19.49 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -46.6 -58.66 6.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.78 -22.51 31.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.41 -36.88 68.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.2 -47.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -39.05 -45.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -68.35 -40.94 81.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 10.5 mtp-105 -52.63 -45.6 66.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.83 40.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.2 mt -122.93 143.84 41.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 89.47 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.13 114.49 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.89 -30.01 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -146.99 -178.43 6.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' N ' HD13 ' A' ' 26' ' ' ILE . 31.7 t -58.01 -53.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.59 -40.5 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.15 7.65 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -63.38 -58.21 16.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.723 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.7 Cg_endo -69.68 -41.33 4.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -61.46 -8.98 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.4 m -130.56 26.67 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 t -83.12 -40.3 19.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 m -77.62 -37.75 49.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -64.02 -38.52 91.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 64.8 t-105 -64.85 -34.81 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.29 -13.85 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -82.4 -31.89 29.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 10.1 mt -50.83 159.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.0 mtm180 -102.81 149.1 24.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ARG . 9.6 tp10 -35.36 -52.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.81 -50.62 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.03 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -52.58 -44.27 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.65 -42.15 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -60.28 -48.62 80.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CB ' ' HB3' ' A' ' 17' ' ' ALA . 24.2 m-85 -62.01 -37.22 84.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.432 ' N ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.5 -43.08 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.48 -50.33 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.53 -34.04 77.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.31 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' NH2' ' HB1' ' A' ' 62' ' ' ALA . 10.6 ptp180 -59.76 -57.67 11.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' H ' ' CG ' ' A' ' 66' ' ' ARG . 62.6 mm-40 -49.97 -35.69 25.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -67.86 -53.09 29.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -57.42 -39.53 76.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.71 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -31.9 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -82.89 -21.68 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -86.16 -42.94 6.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLY . 7.9 tptp 34.33 36.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 73' ' ' GLY . 71.4 m-20 -110.16 145.5 32.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.571 0.701 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.67 5.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.39 82.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 95.8 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t 65.2 44.87 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.97 143.08 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -96.03 151.55 19.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -174.98 144.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.66 143.99 98.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.505 0.669 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.97 3.3 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -159.72 120.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -144.01 119.16 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.3 p -118.36 138.5 52.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.6 p -77.01 165.78 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.1 -172.25 44.48 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.39 3.56 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.376 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m 60.82 51.9 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -135.44 174.97 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -134.16 -58.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -71.35 140.84 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.69 132.02 52.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -115.15 115.31 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.822 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -73.53 -52.41 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.95 -107.19 0.44 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.95 135.09 42.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 100.9 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.604 2.203 . . . . 0.0 112.409 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -127.45 167.77 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -112.3 142.09 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.58 136.95 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.99 -47.62 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 m -47.1 172.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -87.97 130.77 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.0 t-20 -141.22 176.27 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 61' ' ' TYR . . . -35.73 -49.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -56.6 -53.28 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 8.9 t80 -49.21 -44.47 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.34 -38.81 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -63.54 -43.94 95.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.47 -25.88 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -78.05 -26.88 48.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -92.65 3.83 54.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 mmtp -117.19 -23.5 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -38.14 -57.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.1 Cg_endo -69.85 -21.52 32.95 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' LYS . 11.3 tt0 -72.38 -41.52 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.73 -39.46 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -48.79 -40.77 30.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -77.55 -28.43 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.42 -42.82 98.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.21 38.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -127.03 144.03 48.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.09 104.39 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.64 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -142.8 176.89 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' N ' HD13 ' A' ' 26' ' ' ILE . 28.9 t -55.04 -49.67 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.22 -30.32 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.19 -42.6 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -10.09 59.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -47.15 -58.19 7.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.87 -43.16 2.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.613 2.208 . . . . 0.0 112.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -66.87 -6.05 14.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -118.37 -8.14 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 -58.23 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 p -55.34 -27.6 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.44 -33.45 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.522 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 71.2 t-105 -65.86 -32.29 73.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.36 -14.05 62.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 mt -85.29 -26.07 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.522 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 13.1 mt -57.42 157.04 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -100.33 161.77 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -47.86 -45.18 29.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.77 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CB ' HD23 ' A' ' 53' ' ' LEU . 1.3 mm-40 -56.38 -54.5 44.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -49.37 -47.92 47.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.53 -47.88 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -53.73 -54.61 35.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.459 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . 20.4 m-85 -56.17 -41.06 74.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -66.64 -39.46 88.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.5 -49.67 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 68' ' ' TRP . 11.1 ptp -65.55 -28.96 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.04 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' CG ' ' H ' ' A' ' 67' ' ' GLU . 10.7 ptm180 -57.28 -56.34 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 68' ' ' TRP . 8.1 pt-20 -53.46 -43.59 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.415 ' N ' ' CG ' ' A' ' 67' ' ' GLU . 60.3 t90 -60.46 -47.45 86.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -62.18 -41.05 97.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.52 87.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.46 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -75.25 -23.51 57.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.99 -69.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -116.54 152.81 33.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -160.17 144.5 10.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.26 15.79 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.07 -90.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.566 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 153.24 69.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.8 p -137.61 126.81 24.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -50.8 154.4 1.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.36 110.85 22.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -38.63 137.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -129.42 143.06 47.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.3 Cg_endo -69.72 -167.27 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 84' ' ' PRO . 12.2 p 33.51 44.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' VAL . 82.0 m-85 -34.23 -41.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -94.75 118.67 32.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.1 t -64.96 -62.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.1 -158.18 15.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 121.1 7.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.5 p -100.71 174.92 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 p -73.69 -47.05 42.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -59.28 169.93 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.814 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -90.44 -59.19 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.94 -133.24 11.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -108.44 -59.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -63.17 127.77 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.22 -112.33 0.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -128.64 149.57 72.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.532 0.682 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 134.09 27.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -85.83 161.44 19.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -86.54 -45.85 10.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -68.47 156.84 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.69 97.34 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -120.08 177.07 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 19' ' ' TYR . 15.4 mmp_? -48.59 132.81 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.9 t-20 -147.44 163.89 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 61' ' ' TYR . . . -35.14 -37.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -62.93 -46.06 89.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 7.9 t80 -66.93 -42.75 84.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -65.66 -40.51 92.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.12 -40.55 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' ' HB1' ' A' ' 42' ' ' ALA . 53.7 t -68.7 -38.97 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.23 -46.56 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.91 6.94 6.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -120.1 -23.76 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 mt -45.53 -57.81 7.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.711 0.767 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.78 -22.96 31.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -70.3 -32.71 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 26.9 mt -79.97 -46.66 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -42.3 -29.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -79.21 -34.89 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 30.7 mtp180 -65.04 -40.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.45 43.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -124.14 139.64 33.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.53 0.681 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.236 . . . . 0.0 112.325 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.75 119.47 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.4 -37.89 6.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -137.83 -177.07 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' CG1' ' A' ' 22' ' ' VAL . 88.3 t -58.64 -47.31 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.01 -25.06 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.24 -39.65 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -86.97 10.88 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -68.52 -57.79 8.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.28 . . . . 0.0 112.293 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.33 -8.85 9.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' ASP . 3.9 p -121.72 -20.79 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' CYS . 18.8 t -35.97 -34.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 86.8 p -86.68 -40.78 14.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.7 t0 -60.07 -43.24 95.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' CE3' HD13 ' A' ' 53' ' ' LEU . 71.1 t-105 -57.48 -39.76 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.65 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.24 -27.33 47.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 50' ' ' TRP . 12.0 mt -57.73 160.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -101.63 153.39 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -40.78 -47.44 2.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.92 -50.29 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -59.16 -52.67 64.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -51.49 -47.42 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.81 -53.32 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -49.53 -55.18 14.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 18.6 m-85 -55.71 -42.79 75.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.28 90.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.97 -49.87 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 10.1 ptp -63.51 -35.22 79.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.08 -60.24 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -55.37 -57.81 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.26 -35.58 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -66.61 -48.62 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 7.5 mtp-105 -61.04 -38.53 86.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.68 82.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.26 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -79.78 -24.12 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.06 69.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -49.08 -49.65 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -149.68 139.22 13.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 -17.64 37.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.707 2.271 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.81 79.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 -47.45 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -82.43 114.5 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.52 155.52 18.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -154.19 166.61 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -110.21 133.03 53.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.94 84.97 9.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 178.42 4.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.9 m -50.91 146.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -74.83 118.66 18.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.6 p -93.04 -42.39 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -75.2 91.65 2.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.37 179.21 16.48 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.71 136.96 34.47 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.652 2.235 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.5 m -84.86 126.4 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.6 m -110.26 42.08 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -71.83 -60.13 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -50.13 172.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.8 78.23 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -90.92 46.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 158.24 44.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.09 64.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.532 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -159.96 151.8 16.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.713 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 93.21 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -85.24 120.71 27.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -72.2 -53.5 12.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 147.09 23.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.0 113.16 24.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 m -110.86 169.1 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -97.39 124.09 41.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -125.01 178.68 5.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 61' ' ' TYR . . . -44.61 -35.7 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.43 -41.63 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -45.49 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 7.7 m-85 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 61' ' ' TYR . 37.9 t80 -59.05 -39.97 83.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -75.81 -39.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.599 ' NE2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -53.86 -48.43 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -78.91 9.61 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -121.86 -23.72 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -43.36 -57.92 4.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -20.51 34.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.625 2.216 . . . . 0.0 112.365 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.38 -39.21 68.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.44 -42.86 58.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -46.75 -35.13 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -75.47 -41.04 56.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -55.41 -41.71 73.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.68 45.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.75 141.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.688 0.756 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 80.05 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.4 117.67 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.87 -35.17 9.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -150.43 -176.73 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.599 ' CG2' ' NE2' ' A' ' 23' ' ' GLN . 55.1 t -53.62 -51.14 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 -40.72 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.03 11.63 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.44 -57.85 6.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.79 -11.43 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 p -117.28 -24.84 7.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' CYS . 16.5 t -36.27 -32.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . 89.6 p -85.5 -42.52 14.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.7 t70 -62.5 -47.96 81.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -53.51 -36.38 61.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.27 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.2 -27.97 38.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.59 165.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -104.68 164.13 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.41 -47.31 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.09 -50.12 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.44 -55.41 35.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -52.47 -34.65 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.76 -40.28 76.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -64.95 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 21' ' ' PHE . 30.0 m-85 -71.8 -38.44 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.52 -46.94 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 64' ' ' MET . 2.6 pp20? -62.92 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.453 ' N ' ' CD ' ' A' ' 63' ' ' GLU . 10.3 ptp -65.98 -38.88 89.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 20' ' ' PHE . . . -63.11 -56.14 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 63' ' ' GLU . 14.2 ptt180 -58.07 -56.65 19.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.63 -41.86 32.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.32 -49.8 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -59.8 -40.23 87.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.76 62.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -76.65 -23.56 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.26 -73.0 1.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -104.67 137.09 43.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.32 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -115.84 80.8 9.01 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.68 0.752 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.64 167.81 18.43 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 120.76 7.48 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.9 p -100.51 136.97 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -169.15 155.46 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -69.18 175.51 3.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -88.71 -29.67 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -165.87 143.94 4.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.687 0.756 . . . . 0.0 110.816 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 111.58 2.86 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -111.47 147.33 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -132.81 164.87 25.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -95.36 -45.51 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -84.39 88.92 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -112.82 -91.9 1.98 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 108.88 2.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.3 p -150.77 158.84 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -47.79 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m 62.41 42.16 9.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -148.47 124.98 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.87 52.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -79.19 113.43 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.811 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 p -91.8 115.47 28.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.48 54.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -114.83 143.52 30.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -2.21 9.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -38.7 98.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.2 mmp_? -111.62 -179.78 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' ARG . 33.9 mtpt -35.51 102.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.8 158.63 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -54.83 158.25 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 53.8 mtm-85 -71.08 128.55 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.485 ' ND2' ' NH2' ' A' ' 66' ' ' ARG . 30.3 m120 -136.86 175.16 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -38.26 -47.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.64 -45.05 93.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.475 ' CE1' ' HG2' ' A' ' 15' ' ' ARG . 53.1 t80 -56.3 -44.65 80.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 65' ' ' ALA . 8.2 m-85 -63.35 -41.28 98.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 82.4 t80 -64.13 -57.3 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.405 ' CG1' HG12 ' A' ' 39' ' ' VAL . 92.3 t -55.22 -24.89 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' NE2' HG21 ' A' ' 39' ' ' VAL . 8.0 tp-100 -73.76 -45.36 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 20' ' ' PHE . 1.3 mp0 -74.61 4.34 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mmtm -112.36 -28.92 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.9 mt -36.23 -58.62 0.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.89 -21.61 32.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.1 tt0 -72.24 -32.54 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -83.5 -38.63 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -47.72 -48.78 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.74 -37.95 82.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -55.07 -40.21 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.99 45.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.554 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -128.76 143.4 48.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.57 0.7 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 85.8 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.91 123.81 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.98 -30.18 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 3.6 ptm85 -138.43 173.72 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 26' ' ' ILE . 82.5 t -57.2 -45.61 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.11 -33.4 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.96 -39.3 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.75 3.8 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.35 19.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.85 -34.57 14.04 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -73.29 2.77 6.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ASP . 7.4 m -127.87 -31.34 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' CYS . 28.8 t -36.64 -37.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -70.85 -47.96 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.2 m-20 -63.41 -34.72 78.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.515 ' CE3' HD12 ' A' ' 53' ' ' LEU . 75.6 t-105 -63.34 -41.39 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -8.64 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -91.28 -24.82 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 HD12 ' CE3' ' A' ' 50' ' ' TRP . 14.9 mt -60.92 161.12 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -100.02 157.75 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.84 -43.37 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.98 -45.82 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.24 -54.82 35.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -50.84 -47.13 60.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -60.28 -43.16 96.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.75 -49.3 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.32 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.2 -52.72 64.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -60.12 -33.93 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . . . -65.41 -52.38 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' NH2' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.45 -36.21 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -64.13 -48.71 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.75 -42.21 97.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.57 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.36 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -71.82 -23.62 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.57 -63.21 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.05 145.83 29.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -122.19 81.42 44.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -9.2 25.54 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.766 2.311 . . . . 0.0 112.312 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.42 145.68 10.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 95.7 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -125.61 153.91 43.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.01 153.99 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -116.85 84.35 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -142.36 128.15 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -163.49 128.12 1.99 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.721 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.48 54.33 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.88 121.34 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -116.3 175.73 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.0 t -157.32 153.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.0 t -99.03 -48.95 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.7 64.71 0.84 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 86.3 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -85.53 112.33 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -70.53 138.9 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.479 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -107.88 132.17 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -170.8 146.44 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.32 -163.62 17.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -69.1 -54.89 12.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -94.39 151.52 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.794 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.92 162.92 13.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 mtt -66.34 149.61 97.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 106.83 1.73 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.703 2.269 . . . . 0.0 112.288 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 113.08 7.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.23 -52.24 24.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -120.55 36.98 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' SER . . . 37.54 52.6 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . 1.8 m -35.58 -67.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -149.96 125.0 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.6 m120 -139.01 173.35 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' ' CA ' ' A' ' 62' ' ' ALA . . . -34.74 -46.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ASN . 46.0 t80 -55.96 -40.84 73.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 65' ' ' ALA . 8.8 m-85 -70.64 -33.52 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.55 -54.43 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.87 -27.17 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 39' ' ' VAL . 5.3 tp-100 -73.8 -39.38 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.74 11.72 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mmtm -123.07 -25.54 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.0 mt -37.05 -58.34 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.8 Cg_endo -69.79 -22.89 31.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.6 2.2 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.0 tp10 -71.15 -40.13 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.44 -42.81 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -45.15 -41.24 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -73.0 -42.76 62.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -52.71 -42.79 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.42 45.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -128.85 143.48 48.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.97 106.56 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.5 -32.4 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -145.41 175.04 10.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' N ' HD12 ' A' ' 26' ' ' ILE . 59.5 t -51.0 -54.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.22 -34.03 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.9 m-20 -76.19 -39.87 53.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.88 -7.26 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.8 mt -52.36 -58.67 10.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.739 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.73 -39.34 6.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 29.4 m-85 -68.94 -3.16 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' SER . 51.3 m -116.54 -36.94 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 72.1 p -36.34 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . 26.7 p -73.64 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -42.38 89.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CE3' HD13 ' A' ' 53' ' ' LEU . 72.5 t-105 -52.87 -36.32 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -25.05 67.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.51 -32.3 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' CE3' ' A' ' 50' ' ' TRP . 14.4 mt -51.42 158.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLU . 42.0 mtt85 -105.16 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ARG . 36.6 tt0 -36.28 -46.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -55.69 -54.37 45.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CD ' HD23 ' A' ' 53' ' ' LEU . 5.8 mt-10 -55.57 -52.83 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -49.11 -48.65 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.8 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -50.57 -51.56 47.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -58.29 -46.99 85.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.425 ' CA ' ' HB3' ' A' ' 17' ' ' ALA . . . -60.24 -42.46 95.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.19 -56.05 26.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 9.3 ptp -56.16 -31.46 63.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -68.61 -56.61 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -54.8 -53.89 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.13 -41.36 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -57.22 -56.56 20.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -56.66 -43.49 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.88 -48.3 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.98 60.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -66.04 -26.85 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 55.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -150.63 138.43 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -113.9 97.43 44.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.52 -154.04 16.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -24.12 30.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.0 p -56.22 129.36 39.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -143.78 157.35 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -173.19 124.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -78.13 83.94 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -123.79 83.0 54.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.15 2.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.264 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 86' ' ' PHE . 5.4 p -154.29 145.45 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.443 ' N ' HG23 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -104.96 170.66 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' PHE . 49.8 p 35.97 49.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.2 p -108.17 137.03 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.13 83.54 0.92 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 152.8 69.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -95.84 103.91 15.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 m -94.18 154.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -63.45 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -69.27 90.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.72 72.65 0.2 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -108.16 145.39 34.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -112.16 110.52 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.52 -133.04 2.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.19 145.79 0.37 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.5 Cg_endo -69.86 2.93 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 17.6 t-20 -34.6 117.7 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -42.97 148.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -125.07 100.13 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.7 150.35 35.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -116.68 87.56 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -89.68 120.95 31.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ALA . 18.9 t-20 -126.63 172.8 9.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB1' ' N ' ' A' ' 62' ' ' ALA . . . -37.07 -48.27 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -56.36 -46.72 79.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 3.5 t80 -59.81 -41.49 91.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 4.6 m-85 -63.07 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -74.34 -40.25 62.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 39' ' ' VAL . 55.6 t -68.83 -43.56 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.44 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.6 1.11 17.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -116.44 -24.86 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.1 mt -40.56 -57.86 2.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.3 Cg_endo -69.82 -21.31 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -72.41 -31.46 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.41 -44.54 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -42.62 -40.6 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -70.08 -40.34 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt-85 -56.8 -42.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 42.33 0.38 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.23 141.79 39.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.643 0.735 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.62 105.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.99 -39.19 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -143.61 173.97 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 22' ' ' VAL . 81.0 t -46.23 -53.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.54 -38.27 4.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.9 m-20 -76.26 -37.83 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.34 12.34 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.22 -58.03 6.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.694 0.759 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.7 -39.16 6.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-85 -64.5 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 87.5 m -129.53 31.62 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -93.46 -25.64 17.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.4 t -85.03 -33.97 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -44.41 30.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD13 ' A' ' 53' ' ' LEU . 62.3 t-105 -58.04 -34.79 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.31 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.52 -33.63 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' CE3' ' A' ' 50' ' ' TRP . 16.6 mt -52.34 153.77 2.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -96.18 165.57 12.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -50.38 -50.79 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -51.59 -47.77 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.99 -56.06 27.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -49.15 -45.56 43.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -60.58 -49.92 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.08 -51.99 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -58.55 -41.76 86.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.452 ' N ' ' HB1' ' A' ' 17' ' ' ALA . . . -64.49 -41.81 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.78 -55.07 33.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.6 ptp -57.81 -33.49 68.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -66.72 -55.23 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -56.03 -55.45 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -56.35 -41.7 76.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -58.11 -49.07 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.5 -49.53 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.23 -57.48 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.37 -21.31 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.38 46.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ASP . 8.0 tmtt? -123.91 129.25 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' LYS . 1.7 p-10 -33.57 96.67 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 77' ' ' GLY . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.39 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . -34.2 -70.46 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -40.64 5.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -76.81 -174.98 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -110.35 154.2 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -88.73 93.98 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 144.1 25.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -158.84 147.7 14.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -175.04 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.285 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 86' ' ' PHE . 11.2 p -106.4 38.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' CE2' HG13 ' A' ' 85' ' ' VAL . 98.4 m-85 -145.81 134.02 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.7 p -122.64 106.96 11.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -125.37 124.72 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.81 83.56 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 2.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.272 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.2 t -68.38 150.42 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 p -123.17 121.6 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.504 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 19' ' ' TYR . 17.9 m120 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.708 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.51 -46.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.62 -42.52 99.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.8 t80 -63.05 -43.24 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.76 -41.46 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.89 -42.32 98.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 39' ' ' VAL . 52.3 t -68.84 -41.03 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -53.85 -41.48 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.93 7.89 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -120.09 -17.24 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.667 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -48.18 -57.8 9.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.551 0.691 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.2 Cg_endo -69.78 -21.89 32.76 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.86 -39.76 69.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.3 mt -75.11 -40.05 60.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.623 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.2 mtp85 -48.55 -45.31 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -67.71 -41.05 84.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -53.36 -39.54 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.38 41.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 36' ' ' VAL . 60.0 mt -127.23 144.19 49.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 0.0 110.972 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 87.92 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.288 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -131.24 105.25 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.18 -41.22 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HE ' ' HB3' ' A' ' 40' ' ' ALA . 32.5 ptt180 -138.35 -178.69 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 26' ' ' ILE . 54.9 t -55.73 -53.32 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.72 -32.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.83 -41.41 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.85 10.24 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.1 mt -66.12 -58.46 10.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.85 -41.56 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -60.67 -10.67 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.37 31.2 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -86.87 -35.49 18.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.89 -32.12 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.6 t0 -69.54 -37.99 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.541 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.6 t-105 -65.01 -37.94 89.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.45 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 55.8 mt -73.07 -31.97 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 57' ' ' GLU . 13.9 mt -54.18 157.51 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -100.3 155.74 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -40.99 -46.92 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.16 -47.8 71.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -62.15 -54.15 45.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -49.82 -46.01 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -63.77 -37.95 89.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -60.55 -50.67 72.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -65.19 -36.76 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.708 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -70.18 -34.14 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.01 -53.15 13.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.4 ptm -60.84 -34.9 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.79 -49.28 54.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -58.52 -50.93 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.13 -34.45 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -63.54 -47.8 80.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -66.76 -40.84 88.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.37 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.22 75.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.9 t-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.04 -45.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.62 -58.76 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.496 ' CE2' ' NE2' ' A' ' 23' ' ' GLN . 79.0 t80 -44.17 -43.84 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.57 -40.06 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HG13 ' A' ' 39' ' ' VAL . 49.6 t -72.73 -34.16 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.496 ' NE2' ' CE2' ' A' ' 19' ' ' TYR . 10.6 tt0 -64.46 -33.15 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -86.28 6.29 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -120.47 -14.38 8.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.4 mt -50.28 -58.64 9.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 111.168 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.0 Cg_endo -69.87 -22.03 32.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -71.98 -36.32 69.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' SG ' ' A' ' 46' ' ' CYS . 94.6 mt -78.98 -38.77 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -49.04 -45.89 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -61.69 -39.39 91.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -58.93 -41.36 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.25 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -129.09 143.74 49.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 82.8 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.585 2.19 . . . . 0.0 112.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 29' ' ' LEU . 2.3 m -127.76 92.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.86 -36.78 21.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -136.95 -177.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.709 HG13 HG11 ' A' ' 22' ' ' VAL . 22.3 t -61.62 -50.72 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.06 -23.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.71 -37.93 16.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.13 4.55 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -60.81 -58.05 22.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.75 -48.12 0.79 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -54.99 -16.09 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.549 ' SG ' HD11 ' A' ' 29' ' ' LEU . 83.2 m -129.41 31.89 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.9 p -83.56 -46.23 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -72.81 -34.55 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.8 -37.55 84.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.652 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 58.5 t-105 -65.93 -39.64 90.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.27 -14.71 57.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.87 -23.62 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 3.8 mt -54.23 160.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -98.78 149.56 22.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -42.49 -46.79 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -54.85 -46.94 74.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.82 -53.94 51.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 59.2 mttt -50.61 -46.97 58.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.9 -48.48 81.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -53.06 -53.92 43.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -57.01 -40.76 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.51 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.01 -41.6 95.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.19 -55.31 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.2 ptp -58.9 -34.43 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.97 -54.4 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 22.4 mtm105 -56.27 -54.4 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.06 -40.23 73.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.31 -48.77 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -64.05 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.35 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.88 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.16 -37.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.46 -56.56 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -48.91 -45.72 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.8 m-85 -60.13 -42.29 94.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.454 ' CD1' HD11 ' A' ' 53' ' ' LEU . 68.7 t80 -64.11 -46.75 82.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.786 HG11 HG13 ' A' ' 39' ' ' VAL . 94.8 t -60.75 -46.71 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.56 -41.54 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.68 9.07 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -119.75 -24.1 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -42.85 -58.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.666 0.745 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.69 -23.63 30.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.75 -39.02 73.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.541 ' HB2' HG21 ' A' ' 36' ' ' VAL . 83.7 mt -78.05 -42.67 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' CG ' HG23 ' A' ' 36' ' ' VAL . 14.2 mtp-105 -46.27 -47.69 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -70.41 -36.05 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -55.77 -44.11 77.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.96 44.12 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.3 mt -132.44 143.86 50.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.397 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -122.92 105.64 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.53 -40.08 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -141.36 175.44 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.786 HG13 HG11 ' A' ' 22' ' ' VAL . 24.8 t -50.9 -43.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.51 -39.28 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.1 m-20 -74.44 -37.96 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.28 -13.14 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.9 mt -47.53 -58.41 7.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 27.3 m-85 -59.97 -12.39 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 86.1 m -108.32 -35.72 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' CYS . 51.7 p -36.05 -34.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' CYS . 37.0 m -72.88 -53.02 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.611 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.1 t70 -59.79 -47.64 84.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.538 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.4 t-105 -52.82 -38.41 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.75 -19.23 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 49' ' ' ASP . 33.1 mt -80.5 -29.8 37.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.5 mt -53.4 158.04 1.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -97.77 155.9 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -45.14 -43.86 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.29 -48.67 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 53' ' ' LEU . 28.5 mm-40 -58.96 -53.92 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -53.31 -46.11 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.29 -41.49 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -61.87 -49.1 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.88 -36.82 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -69.89 -37.7 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.42 -34.74 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.72 -54.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -57.51 -56.82 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.52 -35.04 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 72' ' ' GLN . 70.9 t90 -65.07 -51.53 60.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -58.58 -38.68 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.52 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.13 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 63.3 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.341 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.46 -44.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -58.11 -51.0 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -52.95 -48.59 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.0 m-85 -59.26 -38.67 80.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -64.9 -50.52 66.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 39' ' ' VAL . 95.4 t -61.9 -33.1 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.99 -41.09 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.17 10.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -120.16 -25.69 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.571 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.2 mt -38.94 -58.71 1.63 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.9 Cg_endo -69.71 -22.62 32.08 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.658 2.239 . . . . 0.0 112.411 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.06 -41.86 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 54.1 mt -74.4 -37.99 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 36' ' ' VAL . 6.1 mtp-105 -50.23 -40.22 46.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -74.0 -37.56 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -56.59 -44.27 80.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.43 47.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 36' ' ' VAL . 84.5 mt -129.68 143.53 49.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 30' ' ' ARG . 1.7 m -122.69 111.19 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.57 -35.44 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -140.4 174.29 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.571 ' N ' HD11 ' A' ' 26' ' ' ILE . 77.0 t -51.96 -49.11 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.93 -35.92 25.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.8 m-20 -73.36 -34.67 65.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.94 -9.65 55.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 mt -47.2 -57.84 8.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.79 -34.83 13.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 17.2 m-85 -79.21 11.41 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' SER . 35.0 m -128.15 -41.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' CYS . 35.0 t -35.14 -44.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -57.88 -57.74 11.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 -38.91 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' HD12 ' A' ' 53' ' ' LEU . 73.7 t-105 -57.94 -40.88 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.13 -34.01 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 57' ' ' GLU . 15.1 mt -55.25 155.91 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.29 167.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -51.65 -46.36 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -50.24 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.795 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 53' ' ' LEU . 24.3 mm-40 -58.37 -54.79 43.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -50.29 -47.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.5 -46.12 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -55.65 -51.73 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.14 -42.52 86.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -65.28 -42.4 93.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.81 -54.07 50.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.0 ptp -60.24 -32.45 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.62 -53.11 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -59.18 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.97 -42.29 84.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.408 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 55.2 t90 -61.79 -46.67 88.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -60.28 -39.49 87.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.57 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.13 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ALA . 6.0 t-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.675 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.7 -44.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.69 -53.01 62.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -51.89 -49.62 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.99 -33.77 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.46 -45.46 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.68 -32.48 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -63.96 -34.28 77.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.39 5.91 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -117.46 -21.47 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.586 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -42.02 -58.06 3.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.71 -22.68 31.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.91 -37.94 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 34' ' ' LEU . 83.7 mt -78.98 -37.48 39.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' HG3' HG23 ' A' ' 36' ' ' VAL . 20.2 mtt-85 -52.2 -36.1 51.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -82.07 -28.69 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -63.88 -39.02 93.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.37 44.61 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -131.07 142.31 45.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -135.41 121.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.54 -20.96 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -163.08 174.13 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.586 ' N ' HD11 ' A' ' 26' ' ' ILE . 21.3 t -45.53 -53.7 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.95 -39.27 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t0 -74.01 -40.55 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.58 5.87 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.59 18.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.75 -40.03 5.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.24 -7.49 9.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 33.1 m -113.51 -31.25 6.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 4.8 t -36.83 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 67.5 m -76.0 -53.43 8.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.784 ' HA ' HD12 ' A' ' 52' ' ' LEU . 6.2 t70 -62.97 -41.81 99.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.3 t-105 -59.71 -36.19 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.01 -18.84 65.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 49' ' ' ASP . 18.9 mt -80.25 -30.25 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.8 mt -53.56 158.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -102.62 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -48.05 -47.82 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -53.42 -52.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.601 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.4 mm-40 -55.05 -57.0 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.64 -46.49 28.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -59.44 -51.21 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.66 -51.61 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.437 ' CD1' ' HE3' ' A' ' 64' ' ' MET . 26.0 m-85 -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.675 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 3.3 tp10 -62.79 -55.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.5 ptp -58.94 -32.78 69.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.35 -44.26 79.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -67.16 -36.82 82.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 12.7 mt-10 -67.62 -43.37 80.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -65.56 -46.65 78.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -60.24 -45.1 94.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.68 -51.9 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.66 75.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ALA . 13.7 m120 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.95 0.405 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.17 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -61.5 -51.36 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.76 -45.79 67.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.9 m-85 -61.33 -38.75 88.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -70.73 -41.91 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.817 HG11 HG13 ' A' ' 39' ' ' VAL . 44.5 t -69.4 -37.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -62.76 -35.66 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.77 1.23 39.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -112.02 -16.29 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -51.12 -57.85 12.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.7 Cg_endo -69.79 -23.88 30.15 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.27 -37.73 74.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.74 -41.06 46.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -46.15 -42.87 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 15.5 mtp-105 -73.14 -34.46 66.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -57.67 -44.06 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 42.98 0.35 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.7 mt -127.12 144.09 49.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.13 129.2 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.01 -32.29 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.84 -178.87 6.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.817 HG13 HG11 ' A' ' 22' ' ' VAL . 68.4 t -50.85 -54.96 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.85 -29.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 75.9 m-20 -86.71 -40.23 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.0 2.81 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -62.76 -58.72 15.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.9 Cg_endo -69.85 -43.51 2.54 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 25.9 m-85 -61.93 -8.6 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' SER . 94.3 m -117.05 -29.43 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 p -38.62 -31.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' CYS . 35.9 p -75.85 -53.27 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.47 -44.45 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.4 t-105 -57.0 -36.33 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.23 -12.82 62.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.49 -22.24 23.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 8.0 mt -58.95 158.71 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.59 162.7 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.18 -50.04 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -54.51 -44.43 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.3 mm-40 -60.13 -56.62 19.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -51.93 -40.06 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.7 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.95 -42.93 84.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -68.35 -32.81 73.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.415 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.52 -49.12 76.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 24.0 ptm -60.1 -45.41 93.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -59.85 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -57.08 -48.86 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -57.56 -38.69 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -64.6 -46.89 80.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -63.1 -45.66 91.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.98 96.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.31 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' TYR . 3.1 t-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.733 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -33.29 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -65.19 -53.58 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CE1' HG21 ' A' ' 39' ' ' VAL . 59.1 t80 -50.87 -46.96 60.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.5 m-85 -56.4 -44.0 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.27 -48.04 77.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 39' ' ' VAL . 90.5 t -62.8 -38.36 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -60.36 -41.68 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.86 8.15 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -120.08 -23.12 6.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -41.35 -58.46 2.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 111.153 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.5 Cg_endo -69.7 -21.17 34.16 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.764 2.31 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.27 -36.63 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.31 -40.43 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.795 ' HG3' HG23 ' A' ' 36' ' ' VAL . 55.3 mtp85 -48.77 -41.17 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -71.05 -42.54 69.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -52.44 -40.48 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.67 45.6 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 36' ' ' VAL . 90.6 mt -129.01 143.44 48.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 85.1 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -126.06 108.98 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.61 -40.07 8.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -139.59 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 19' ' ' TYR . 65.3 t -48.75 -51.81 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.4 -37.3 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -77.74 -39.03 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.58 5.85 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -66.17 -58.19 11.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.75 -44.97 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 30.4 m-85 -57.63 -12.66 3.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 75.9 m -110.34 -30.04 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.2 p -34.93 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.3 t -72.01 -55.99 6.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -57.43 -47.1 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.8 t-105 -58.61 -36.34 73.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.03 -8.9 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.68 -23.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 5.8 mt -56.81 156.74 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -94.7 156.11 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -46.6 -44.99 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.07 -47.17 81.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.542 ' CB ' HD22 ' A' ' 53' ' ' LEU . 32.9 mm-40 -59.2 -55.34 36.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -52.16 -45.95 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.15 -41.65 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -61.24 -49.48 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -59.63 -37.35 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.733 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -68.54 -40.09 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.46 -49.38 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 ptm -65.39 -28.99 69.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -70.71 -60.14 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -56.94 -56.56 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 7.3 pt-20 -53.4 -43.89 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 65.2 t90 -57.98 -49.64 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -42.52 88.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.86 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.79 -36.59 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 m-80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.54 -35.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -69.93 -48.09 59.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ASN . 21.4 t80 -58.26 -41.72 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.6 m-85 -61.79 -40.45 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 53' ' ' LEU . 80.1 t80 -66.91 -48.28 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 39' ' ' VAL . 31.7 t -62.29 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -44.97 78.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.98 8.89 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -119.68 -18.57 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -46.07 -57.74 7.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -25.77 28.11 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.08 -24.89 63.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.709 ' HB2' HG21 ' A' ' 36' ' ' VAL . 14.3 mt -91.14 -43.38 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.791 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.8 mtt180 -49.98 -33.18 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -75.74 -36.35 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -60.71 -40.33 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.59 39.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 36' ' ' VAL . 49.8 mt -124.18 142.84 41.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.83 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -125.91 107.26 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.96 -31.51 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -137.04 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 22' ' ' VAL . 97.3 t -56.11 -53.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.12 -30.86 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.24 -39.39 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.48 6.17 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.2 mt -61.63 -58.62 17.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.72 -40.07 5.82 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.743 2.295 . . . . 0.0 112.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.88 -6.75 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 m -120.75 -19.31 7.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -46.13 -23.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.7 p -86.4 -41.54 14.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' HD12 ' A' ' 52' ' ' LEU . 54.9 m-20 -67.96 -41.77 81.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 53' ' ' LEU . 65.2 t-105 -61.55 -36.11 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.46 66.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 49' ' ' ASP . 49.6 mt -79.82 -32.37 40.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 57' ' ' GLU . 11.5 mt -49.57 149.45 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -91.79 159.13 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -46.15 -49.31 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.54 -46.63 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.2 mm-40 -58.99 -56.2 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 58.9 mttt -48.99 -47.99 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.69 -50.67 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.83 -52.87 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -56.5 -42.51 78.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.76 -41.35 92.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -60.03 -50.53 73.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 8.0 ptp -63.69 -33.61 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.35 -58.71 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.34 -57.56 12.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -52.05 -31.83 31.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -69.84 -52.03 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.28 -43.58 92.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.18 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.63 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.3 t-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -37.52 -46.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -58.49 -51.79 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -53.61 -43.94 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.4 m-85 -64.87 -32.78 74.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.26 -41.97 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.31 -36.91 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.14 -42.5 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -78.38 0.55 25.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -110.31 -21.63 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -40.91 -58.65 2.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.82 -25.2 28.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -69.35 -41.34 76.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 25.8 mt -73.88 -39.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.761 ' HG3' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp180 -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -64.11 -39.07 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -58.79 -41.64 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 29.23 1.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.556 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.5 mt -108.77 144.05 28.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -128.01 113.27 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.53 -37.61 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -139.42 -175.66 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.44 -52.23 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.92 -32.73 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 5.3 m-20 -76.18 -42.06 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.27 24.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.2 mt -65.81 -58.76 10.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.69 -45.58 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.3 m-85 -56.59 -13.04 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' SER . 39.0 m -110.62 -30.58 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 49.2 p -35.7 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.6 m -77.23 -52.33 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.71 -44.45 93.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -54.4 -36.47 63.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -17.9 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.99 -28.93 39.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 57' ' ' GLU . 17.2 mt -58.3 159.68 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -107.57 164.39 12.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.8 -47.38 10.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -54.12 -52.54 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -56.49 -55.36 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -50.2 -45.04 53.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.12 -49.47 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -53.99 -51.69 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -57.13 -41.81 79.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.19 -39.26 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.49 -52.05 65.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.9 ptm -63.14 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -67.76 -58.28 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -59.26 -56.87 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.1 -39.25 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -64.31 -51.91 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.12 -46.34 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.85 53.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.57 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ALA . 27.6 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -35.3 -44.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -56.32 -54.44 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -49.79 -50.99 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.02 -39.34 78.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.49 -51.85 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 63.0 t -60.45 -42.91 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -53.69 -41.9 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.75 12.57 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -123.39 -22.96 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -41.15 -58.72 2.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.4 Cg_endo -69.75 -22.58 31.91 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.26 . . . . 0.0 112.332 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -72.42 -39.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 36' ' ' VAL . 87.6 mt -79.37 -42.41 25.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 36' ' ' VAL . 34.4 mtp180 -46.71 -45.57 19.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.59 -37.84 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -53.19 -43.91 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.87 42.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 36' ' ' VAL . 85.2 mt -130.07 143.33 48.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 84.47 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 30' ' ' ARG . 2.0 m -126.36 108.63 19.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.87 -34.25 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -143.26 171.29 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 22' ' ' VAL . 71.9 t -48.49 -49.13 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -46.84 -38.42 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 4.9 m-20 -73.84 -36.75 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -82.57 -14.23 55.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 mt -46.58 -58.12 7.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.75 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.6 Cg_endo -69.76 -36.38 10.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 21.0 m-85 -75.88 6.03 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 5.2 m -117.73 -40.33 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' CYS . 84.2 p -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' CYS . 20.9 m -63.75 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.521 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.54 -39.72 81.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 53' ' ' LEU . 76.1 t-105 -58.67 -43.05 89.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.57 -22.8 64.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 49' ' ' ASP . 42.4 mt -78.45 -32.34 48.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.1 mt -52.25 151.91 3.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -93.7 162.66 13.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.61 -48.32 49.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.05 -46.31 75.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.644 ' HB3' HD22 ' A' ' 53' ' ' LEU . 60.0 mm-40 -59.18 -54.58 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -50.4 -47.79 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.88 -46.74 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -55.02 -52.27 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.83 -42.89 85.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.82 -42.18 95.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -60.2 -54.87 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 2.5 ptp -58.82 -33.7 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.26 -48.19 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -61.4 -47.73 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.18 -41.24 92.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.488 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 47.6 t90 -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 19.6 mmm-85 -62.35 -40.08 95.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.88 -48.95 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.63 86.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 80.8 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.2 -47.09 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -56.31 -53.31 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.62 -48.44 69.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -56.96 -39.84 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 t80 -69.45 -54.83 12.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' CG1' HG13 ' A' ' 39' ' ' VAL . 53.7 t -57.16 -37.09 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.33 -35.39 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -82.44 7.31 14.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 21' ' ' PHE . 60.9 mmtt -117.7 -22.15 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -38.86 -58.62 1.63 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -22.88 31.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.77 -29.67 64.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB2' HG21 ' A' ' 36' ' ' VAL . 20.3 mt -84.03 -43.74 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 36' ' ' VAL . 53.4 mtp180 -44.28 -39.48 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -75.65 -30.56 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.7 mtt180 -63.42 -42.81 98.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.28 43.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 36' ' ' VAL . 26.4 mt -130.2 142.8 46.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -121.65 114.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.57 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 4.3 ptp180 -144.87 -178.38 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' CG1' ' A' ' 22' ' ' VAL . 78.4 t -55.23 -56.07 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.93 -30.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.79 -44.15 19.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.33 5.86 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.5 mt -63.99 -58.13 15.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.9 Cg_endo -69.73 -42.39 3.47 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.71 -10.65 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' SER . 6.1 m -111.76 -26.5 8.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' CYS . 8.3 t -38.09 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' CYS . 69.4 m -78.36 -52.28 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.19 -46.99 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.629 ' HA ' HD12 ' A' ' 53' ' ' LEU . 72.0 t-105 -55.52 -33.82 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.18 -20.91 62.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.21 -22.11 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 57' ' ' GLU . 9.5 mt -62.73 163.76 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -109.12 163.36 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -45.93 -45.03 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -55.45 -49.82 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.679 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.6 mm-40 -58.73 -53.77 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -52.66 -45.56 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.96 -41.07 97.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -59.5 -50.53 73.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -61.57 -37.8 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.62 81.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.3 -53.99 24.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 ptm -62.0 -32.03 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.79 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -58.07 -55.44 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.83 -37.77 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -62.99 -52.13 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -56.79 -44.95 82.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.18 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.73 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.5 t-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -36.05 -48.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -58.37 -53.0 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -48.18 -50.05 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.26 -42.37 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.39 -53.43 57.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.09 -35.27 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tt0 -60.1 -39.21 85.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -82.64 5.19 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.79 -18.93 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 23' ' ' GLN . 2.6 mt -46.69 -57.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.581 0.705 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.1 Cg_endo -69.75 -23.75 30.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.412 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.48 -40.18 70.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 36' ' ' VAL . 44.0 mt -75.68 -35.24 60.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.644 ' CG ' HG23 ' A' ' 36' ' ' VAL . 62.8 mtp180 -57.28 -36.86 71.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -79.99 -29.83 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' VAL . 44.6 mt -131.85 143.89 50.97 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.23 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -125.06 122.57 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.44 -28.77 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -165.09 173.96 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' N ' HD11 ' A' ' 26' ' ' ILE . 24.8 t -38.49 -62.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -36.87 -40.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.24 -42.35 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . -81.96 1.66 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -59.75 -58.75 17.14 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.663 0.744 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.8 Cg_endo -69.83 -37.51 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.286 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -70.04 -0.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' SER . 24.4 m -118.65 -33.77 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.0 p -37.56 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' CYS . 52.8 p -73.62 -53.96 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.14 -42.48 99.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CE3' HD12 ' A' ' 53' ' ' LEU . 74.8 t-105 -57.78 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.17 -14.39 62.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.81 -23.88 25.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD12 ' CE3' ' A' ' 50' ' ' TRP . 18.3 mt -61.1 159.25 12.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -106.75 162.96 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -46.49 -47.83 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.31 -51.94 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.626 ' CB ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -56.49 -54.49 45.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -49.79 -46.83 51.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.63 -52.77 64.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -50.47 -54.87 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -54.81 -41.28 70.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.15 -41.32 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.34 -49.99 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.5 ptp -64.73 -32.05 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.72 -57.31 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 4.5 ptp180 -58.89 -55.67 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -52.03 -42.33 62.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.3 -51.16 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -57.83 -41.39 82.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.03 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.38 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' TYR . 21.1 m120 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.68 -49.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -54.05 -45.65 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -62.28 -43.95 97.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -64.31 -27.54 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 53' ' ' LEU . 73.1 t80 -80.17 -36.95 34.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.81 HG11 HG13 ' A' ' 39' ' ' VAL . 20.2 t -73.35 -41.46 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -39.15 82.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.09 9.47 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -121.7 -24.07 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -43.31 -57.86 4.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.729 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.277 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.13 -33.67 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 HD12 ' A' ' 34' ' ' LEU . 51.2 mt -81.2 -47.56 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.666 ' HG3' HG23 ' A' ' 36' ' ' VAL . 16.8 mtp85 -39.81 -43.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -69.81 -40.5 75.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -55.69 -41.01 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.12 42.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 29' ' ' LEU . 91.0 mt -125.84 144.14 47.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.545 0.688 . . . . 0.0 110.986 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 88.21 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.571 2.181 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -128.45 106.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.87 -42.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -139.57 -178.07 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 22' ' ' VAL . 54.8 t -55.49 -50.56 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.22 -28.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -42.92 15.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.04 7.61 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.5 mt -67.37 -58.66 8.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.2 Cg_endo -69.7 -42.38 3.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.91 -11.38 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.88 17.98 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 97.0 p -70.04 -44.98 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -73.86 -40.73 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.27 -36.84 73.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CE3' HD12 ' A' ' 53' ' ' LEU . 66.3 t-105 -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.93 -11.81 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 80.5 mt -85.98 -22.3 27.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.4 mt -60.93 158.16 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -92.44 155.9 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -46.84 -47.02 21.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.8 -45.48 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.597 ' HB3' HD22 ' A' ' 53' ' ' LEU . 23.6 mm-40 -59.69 -55.15 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -50.65 -47.06 58.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.61 -48.21 81.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.35 -52.16 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -57.29 -42.06 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.528 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.31 -44.6 87.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.73 -50.78 72.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -61.64 -33.92 74.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.59 -59.55 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 3.6 ptm180 -60.13 -56.9 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.08 -34.79 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -68.55 -52.91 26.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 66' ' ' ARG . 25.8 mtm105 -60.56 -41.45 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.06 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.6 m120 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.34 -49.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.06 -48.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 5.7 t80 -55.84 -46.19 78.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.82 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -64.66 -47.87 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.86 -42.21 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.57 8.63 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -121.11 -19.49 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -46.6 -58.66 6.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.78 -22.51 31.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.41 -36.88 68.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD11 ' SG ' ' A' ' 46' ' ' CYS . 19.5 mt -79.2 -47.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 36' ' ' VAL . 23.8 mtp85 -39.05 -45.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -68.35 -40.94 81.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 10.5 mtp-105 -52.63 -45.6 66.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.83 40.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 36' ' ' VAL . 82.2 mt -122.93 143.84 41.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 89.47 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -135.13 114.49 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.111 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.89 -30.01 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -146.99 -178.43 6.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.416 ' N ' HD11 ' A' ' 26' ' ' ILE . 31.7 t -58.01 -53.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.59 -40.5 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.15 7.65 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -63.38 -58.21 16.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.723 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.7 Cg_endo -69.68 -41.33 4.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -61.46 -8.98 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 29' ' ' LEU . 97.4 m -130.56 26.67 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 t -83.12 -40.3 19.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 m -77.62 -37.75 49.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.2 m-20 -64.02 -38.52 91.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE3' HD12 ' A' ' 53' ' ' LEU . 64.8 t-105 -64.85 -34.81 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.29 -13.85 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ASP . 79.2 mt -82.4 -31.89 29.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 10.1 mt -50.83 159.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.0 mtm180 -102.81 149.1 24.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ARG . 9.6 tp10 -35.36 -52.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.81 -50.62 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 52.5 mm-40 -60.03 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -52.58 -44.27 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.65 -42.15 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -60.28 -48.62 80.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.01 -37.22 84.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.781 ' HB1' ' NH2' ' A' ' 66' ' ' ARG . . . -71.5 -43.08 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.48 -50.33 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.53 -34.04 77.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.31 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.781 ' NH2' ' HB1' ' A' ' 62' ' ' ALA . 10.6 ptp180 -59.76 -57.67 11.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -49.97 -35.69 25.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -67.86 -53.09 29.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -57.42 -39.53 76.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.71 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -31.9 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.0 t-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.73 -49.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -56.6 -53.28 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 8.9 t80 -49.21 -44.47 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.34 -38.81 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -63.54 -43.94 95.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.47 -25.88 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -78.05 -26.88 48.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -92.65 3.83 54.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 mmtp -117.19 -23.5 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -38.14 -57.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.1 Cg_endo -69.85 -21.52 32.95 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' LYS . 11.3 tt0 -72.38 -41.52 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.9 mt -74.73 -39.46 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HG3' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -48.79 -40.77 30.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -77.55 -28.43 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.42 -42.82 98.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.21 38.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.8 mt -127.03 144.03 48.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -124.09 104.39 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.64 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -142.8 176.89 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' CG2' HD11 ' A' ' 26' ' ' ILE . 28.9 t -55.04 -49.67 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.22 -30.32 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.19 -42.6 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -10.09 59.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -47.15 -58.19 7.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.87 -43.16 2.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.613 2.208 . . . . 0.0 112.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -66.87 -6.05 14.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -118.37 -8.14 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 -58.23 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 p -55.34 -27.6 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.9 m-20 -82.44 -33.45 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.2 t-105 -65.86 -32.29 73.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.36 -14.05 62.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 49' ' ' ASP . 29.5 mt -85.29 -26.07 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.1 mt -57.42 157.04 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -100.33 161.77 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -47.86 -45.18 29.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.77 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CB ' HD22 ' A' ' 53' ' ' LEU . 1.3 mm-40 -56.38 -54.5 44.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -49.37 -47.92 47.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.53 -47.88 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -53.73 -54.61 35.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -56.17 -41.06 74.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -66.64 -39.46 88.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.5 -49.67 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 68' ' ' TRP . 11.1 ptp -65.55 -28.96 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.04 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -57.28 -56.34 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 8.1 pt-20 -53.46 -43.59 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 60.3 t90 -60.46 -47.45 86.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -62.18 -41.05 97.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.52 87.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.46 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.9 t-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 50' ' ' TRP . . . -35.14 -37.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -62.93 -46.06 89.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 t80 -66.93 -42.75 84.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -65.66 -40.51 92.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.12 -40.55 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.714 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 53.7 t -68.7 -38.97 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.23 -46.56 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.91 6.94 6.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -120.1 -23.76 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 mt -45.53 -57.81 7.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.711 0.767 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.78 -22.96 31.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -70.3 -32.71 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 26.9 mt -79.97 -46.66 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -42.3 -29.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -79.21 -34.89 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 30.7 mtp180 -65.04 -40.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.45 43.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -124.14 139.64 33.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.53 0.681 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.236 . . . . 0.0 112.325 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 29' ' ' LEU . 4.5 m -136.75 119.47 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.4 -37.89 6.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -137.83 -177.07 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG13 HG11 ' A' ' 22' ' ' VAL . 88.3 t -58.64 -47.31 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.01 -25.06 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.24 -39.65 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.714 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -86.97 10.88 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -68.52 -57.79 8.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.28 . . . . 0.0 112.293 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.33 -8.85 9.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' ASP . 3.9 p -121.72 -20.79 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' CYS . 18.8 t -35.97 -34.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 86.8 p -86.68 -40.78 14.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' LEU . 10.7 t0 -60.07 -43.24 95.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.1 t-105 -57.48 -39.76 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.65 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' ASP . 89.1 mt -78.24 -27.33 47.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' CE3' ' A' ' 50' ' ' TRP . 12.0 mt -57.73 160.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -101.63 153.39 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -40.78 -47.44 2.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.3 mp0 -53.92 -50.29 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.539 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.9 mm-40 -59.16 -52.67 64.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -51.49 -47.42 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.81 -53.32 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -49.53 -55.18 14.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -55.71 -42.79 75.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.28 90.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.97 -49.87 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 10.1 ptp -63.51 -35.22 79.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.08 -60.24 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -55.37 -57.81 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.26 -35.58 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -66.61 -48.62 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.5 mtp-105 -61.04 -38.53 86.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.68 82.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.26 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.653 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -44.61 -35.7 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.43 -41.63 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -45.49 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.7 m-85 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' HA ' ' CE1' ' A' ' 61' ' ' TYR . 37.9 t80 -59.05 -39.97 83.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 42' ' ' ALA . 54.8 t -75.81 -39.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.449 ' OE1' ' CG2' ' A' ' 39' ' ' VAL . 2.2 tp60 -53.86 -48.43 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -78.91 9.61 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -121.86 -23.72 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.8 mt -43.36 -57.92 4.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -20.51 34.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.625 2.216 . . . . 0.0 112.365 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.38 -39.21 68.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 34' ' ' LEU . 77.2 mt -74.44 -42.86 58.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HG3' HG23 ' A' ' 36' ' ' VAL . 3.5 mtp-105 -46.75 -35.13 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -75.47 -41.04 56.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -55.41 -41.71 73.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.68 45.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 29' ' ' LEU . 95.3 mt -126.75 141.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.688 0.756 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 80.05 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -123.4 117.67 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.87 -35.17 9.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -150.43 -176.73 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.57 ' N ' HD11 ' A' ' 26' ' ' ILE . 55.1 t -53.62 -51.14 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 -40.72 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -86.03 11.63 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.44 -57.85 6.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.79 -11.43 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 p -117.28 -24.84 7.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' CYS . 16.5 t -36.27 -32.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . 89.6 p -85.5 -42.52 14.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.7 t70 -62.5 -47.96 81.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.51 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.0 t-105 -53.51 -36.38 61.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.27 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.2 -27.97 38.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.7 mt -54.59 165.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -104.68 164.13 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.41 -47.31 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.09 -50.12 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.3 mm-40 -59.44 -55.41 35.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -52.47 -34.65 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.76 -40.28 76.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HG2' ' HE3' ' A' ' 64' ' ' MET . 41.2 tttt -64.95 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 21' ' ' PHE . 30.0 m-85 -71.8 -38.44 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.653 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.52 -46.94 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 2.6 pp20? -62.92 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.46 ' HE3' ' HG2' ' A' ' 60' ' ' LYS . 10.3 ptp -65.98 -38.88 89.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -63.11 -56.14 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 63' ' ' GLU . 14.2 ptt180 -58.07 -56.65 19.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.63 -41.86 32.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.32 -49.8 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -59.8 -40.23 87.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.76 62.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -38.26 -47.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.64 -45.05 93.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -56.3 -44.65 80.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.2 m-85 -63.35 -41.28 98.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 82.4 t80 -64.13 -57.3 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.771 ' CG1' HG13 ' A' ' 39' ' ' VAL . 92.3 t -55.22 -24.89 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -73.76 -45.36 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 20' ' ' PHE . 1.3 mp0 -74.61 4.34 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mmtm -112.36 -28.92 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.9 mt -36.23 -58.62 0.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.89 -21.61 32.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.1 tt0 -72.24 -32.54 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HD12 ' A' ' 34' ' ' LEU . 85.3 mt -83.5 -38.63 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -47.72 -48.78 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.74 -37.95 82.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -55.07 -40.21 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.99 45.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.554 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 29' ' ' LEU . 84.1 mt -128.76 143.4 48.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.57 0.7 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 85.8 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -130.91 123.81 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.98 -30.18 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 3.6 ptm85 -138.43 173.72 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.771 HG13 ' CG1' ' A' ' 22' ' ' VAL . 82.5 t -57.2 -45.61 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.11 -33.4 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.96 -39.3 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.75 3.8 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.35 19.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.85 -34.57 14.04 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -73.29 2.77 6.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ASP . 7.4 m -127.87 -31.34 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' CYS . 28.8 t -36.64 -37.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -70.85 -47.96 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.2 m-20 -63.41 -34.72 78.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 53' ' ' LEU . 75.6 t-105 -63.34 -41.39 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -8.64 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -91.28 -24.82 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.9 mt -60.92 161.12 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -100.02 157.75 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.84 -43.37 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.98 -45.82 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.578 ' HB3' HD22 ' A' ' 53' ' ' LEU . 13.1 mm-40 -62.24 -54.82 35.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -50.84 -47.13 60.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -60.28 -43.16 96.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.75 -49.3 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.32 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.2 -52.72 64.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -60.12 -33.93 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.41 -52.38 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' N ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.45 -36.21 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -64.13 -48.71 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.75 -42.21 97.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.57 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.36 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.6 m120 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' ' N ' ' A' ' 62' ' ' ALA . . . -34.74 -46.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.0 t80 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ASN . 46.0 t80 -55.96 -40.84 73.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -70.64 -33.52 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.55 -54.43 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -61.87 -27.17 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -73.8 -39.38 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.74 11.72 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mmtm -123.07 -25.54 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.0 mt -37.05 -58.34 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.8 Cg_endo -69.79 -22.89 31.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.6 2.2 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.0 tp10 -71.15 -40.13 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 36' ' ' VAL . 75.4 mt -75.44 -42.81 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 36' ' ' VAL . 59.3 mtp180 -45.15 -41.24 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -73.0 -42.76 62.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -52.71 -42.79 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.42 45.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 29' ' ' LEU . 87.0 mt -128.85 143.48 48.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -128.97 106.56 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.5 -32.4 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -145.41 175.04 10.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -51.0 -54.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.22 -34.03 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.9 m-20 -76.19 -39.87 53.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.88 -7.26 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 44' ' ' PRO . 1.8 mt -52.36 -58.67 10.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.739 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.534 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.73 -39.34 6.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 29.4 m-85 -68.94 -3.16 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' SER . 51.3 m -116.54 -36.94 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 72.1 p -36.34 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . 26.7 p -73.64 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -42.38 89.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.82 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -52.87 -36.32 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -25.05 67.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.51 -32.3 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.82 HD12 ' CE3' ' A' ' 50' ' ' TRP . 14.4 mt -51.42 158.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLU . 42.0 mtt85 -105.16 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ARG . 36.6 tt0 -36.28 -46.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -55.69 -54.37 45.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 5.8 mt-10 -55.57 -52.83 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -49.11 -48.65 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.8 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -50.57 -51.56 47.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -58.29 -46.99 85.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -60.24 -42.46 95.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.19 -56.05 26.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 9.3 ptp -56.16 -31.46 63.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -68.61 -56.61 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -54.8 -53.89 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.13 -41.36 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -57.22 -56.56 20.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -56.66 -43.49 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.88 -48.3 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.98 60.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ALA . 18.9 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.935 0.397 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.07 -48.27 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -56.36 -46.72 79.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 3.5 t80 -59.81 -41.49 91.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 4.6 m-85 -63.07 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -74.34 -40.25 62.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 HG13 ' A' ' 39' ' ' VAL . 55.6 t -68.83 -43.56 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.44 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.6 1.11 17.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -116.44 -24.86 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.765 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -40.56 -57.86 2.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.3 Cg_endo -69.82 -21.31 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -72.41 -31.46 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 36' ' ' VAL . 15.8 mt -82.41 -44.54 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' CG ' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -42.62 -40.6 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -70.08 -40.34 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt-85 -56.8 -42.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 42.33 0.38 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 83.0 mt -125.23 141.79 39.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.643 0.735 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -124.62 105.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.99 -39.19 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -143.61 173.97 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.765 ' N ' HD11 ' A' ' 26' ' ' ILE . 81.0 t -46.23 -53.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.54 -38.27 4.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.9 m-20 -76.26 -37.83 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.34 12.34 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.22 -58.03 6.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.694 0.759 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.7 -39.16 6.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-85 -64.5 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 29' ' ' LEU . 87.5 m -129.53 31.62 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -93.46 -25.64 17.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.4 t -85.03 -33.97 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -44.41 30.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.3 t-105 -58.04 -34.79 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.31 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.52 -33.63 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 57' ' ' GLU . 16.6 mt -52.34 153.77 2.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -96.18 165.57 12.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -50.38 -50.79 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -51.59 -47.77 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.633 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.1 mm-40 -58.99 -56.06 27.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -49.15 -45.56 43.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -60.58 -49.92 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.08 -51.99 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -58.55 -41.76 86.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.428 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -64.49 -41.81 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.78 -55.07 33.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.6 ptp -57.81 -33.49 68.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -66.72 -55.23 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -56.03 -55.45 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -56.35 -41.7 76.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -58.11 -49.07 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.5 -49.53 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.23 -57.48 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -78.05 85.66 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -159.08 128.87 5.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -170.22 1.04 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -100.85 140.8 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -156.31 164.65 38.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.49 127.49 4.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 mtm -132.17 144.26 52.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 120.12 6.96 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -163.27 112.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -82.75 94.14 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -88.18 140.14 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.31 66.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' A' ' 69' ' ' ARG . 61.6 m -72.31 145.82 47.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 9.3 mpt_? -74.56 110.41 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 19' ' ' TYR . 17.9 m120 -107.33 168.89 8.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.708 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.51 -46.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.62 -42.52 99.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 15' ' ' ARG . 2.8 t80 -63.05 -43.24 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.76 -41.46 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.89 -42.32 98.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 39' ' ' VAL . 52.3 t -68.84 -41.03 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -53.85 -41.48 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.93 7.89 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -120.09 -17.24 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.667 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -48.18 -57.8 9.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.551 0.691 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.2 Cg_endo -69.78 -21.89 32.76 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.86 -39.76 69.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.3 mt -75.11 -40.05 60.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.623 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.2 mtp85 -48.55 -45.31 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -67.71 -41.05 84.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -53.36 -39.54 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.38 41.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 36' ' ' VAL . 60.0 mt -127.23 144.19 49.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 0.0 110.972 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 87.92 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.288 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -131.24 105.25 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.18 -41.22 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HE ' ' HB3' ' A' ' 40' ' ' ALA . 32.5 ptt180 -138.35 -178.69 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 26' ' ' ILE . 54.9 t -55.73 -53.32 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.72 -32.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.83 -41.41 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.85 10.24 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.1 mt -66.12 -58.46 10.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.85 -41.56 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -60.67 -10.67 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.37 31.2 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -86.87 -35.49 18.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.89 -32.12 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.6 t0 -69.54 -37.99 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.541 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.6 t-105 -65.01 -37.94 89.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.45 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 55.8 mt -73.07 -31.97 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 57' ' ' GLU . 13.9 mt -54.18 157.51 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -100.3 155.74 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -40.99 -46.92 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.16 -47.8 71.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -62.15 -54.15 45.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -49.82 -46.01 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -63.77 -37.95 89.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -60.55 -50.67 72.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -65.19 -36.76 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.708 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -70.18 -34.14 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.01 -53.15 13.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.4 ptm -60.84 -34.9 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.79 -49.28 54.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -58.52 -50.93 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.13 -34.45 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -63.54 -47.8 80.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -66.76 -40.84 88.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.37 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 79' ' ' SER . . . -68.11 -34.22 75.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -86.16 -67.73 1.37 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.564 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' GLY . 20.3 mtmt -34.47 -44.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.9 144.07 48.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -16.56 37.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.602 2.202 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.6 171.11 33.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 157.24 60.89 Favored 'Trans proline' 0 N--CA 1.466 -0.122 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HB2' ' HB1' ' A' ' 71' ' ' ALA . 6.8 m -166.74 110.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -127.57 136.7 52.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.75 161.13 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -174.84 148.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.89 143.98 27.75 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.535 0.683 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.57 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.6 p -127.58 137.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.2 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -152.17 118.29 5.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.9 m -156.07 139.73 16.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -149.72 146.63 27.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.42 20.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 149.1 66.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.304 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 m -127.57 32.38 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -105.5 162.24 13.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -110.85 151.9 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -62.07 -53.87 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.76 -44.49 2.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -84.21 130.58 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.814 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 m -93.26 107.85 19.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.23 151.95 18.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -109.75 142.81 26.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.81 26.07 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.74 130.16 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -2.47 21.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -79.64 128.72 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.42 143.15 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -148.55 164.42 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -49.75 153.35 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.9 t-20 -163.49 169.4 18.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.04 -45.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.62 -58.76 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.496 ' CE2' ' NE2' ' A' ' 23' ' ' GLN . 79.0 t80 -44.17 -43.84 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.57 -40.06 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HG13 ' A' ' 39' ' ' VAL . 49.6 t -72.73 -34.16 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.496 ' NE2' ' CE2' ' A' ' 19' ' ' TYR . 10.6 tt0 -64.46 -33.15 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -86.28 6.29 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -120.47 -14.38 8.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.4 mt -50.28 -58.64 9.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 111.168 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.0 Cg_endo -69.87 -22.03 32.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -71.98 -36.32 69.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' SG ' ' A' ' 46' ' ' CYS . 94.6 mt -78.98 -38.77 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -49.04 -45.89 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -61.69 -39.39 91.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -58.93 -41.36 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.25 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -129.09 143.74 49.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 82.8 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.585 2.19 . . . . 0.0 112.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 29' ' ' LEU . 2.3 m -127.76 92.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.86 -36.78 21.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -136.95 -177.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.709 HG13 HG11 ' A' ' 22' ' ' VAL . 22.3 t -61.62 -50.72 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.06 -23.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.71 -37.93 16.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.13 4.55 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -60.81 -58.05 22.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.75 -48.12 0.79 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -54.99 -16.09 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.549 ' SG ' HD11 ' A' ' 29' ' ' LEU . 83.2 m -129.41 31.89 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.9 p -83.56 -46.23 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -72.81 -34.55 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.8 -37.55 84.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.652 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 58.5 t-105 -65.93 -39.64 90.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.27 -14.71 57.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.87 -23.62 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 3.8 mt -54.23 160.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -98.78 149.56 22.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -42.49 -46.79 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -54.85 -46.94 74.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.82 -53.94 51.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 59.2 mttt -50.61 -46.97 58.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.9 -48.48 81.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -53.06 -53.92 43.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -57.01 -40.76 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.51 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.01 -41.6 95.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.19 -55.31 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.2 ptp -58.9 -34.43 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.97 -54.4 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 22.4 mtm105 -56.27 -54.4 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.06 -40.23 73.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.31 -48.77 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -64.05 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.35 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.88 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -71.55 -22.92 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.8 -40.79 4.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -84.98 39.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.837 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -145.34 143.6 20.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -17.89 37.17 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.23 83.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.8 Cg_endo -69.74 -5.51 16.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' PRO . 34.2 t -38.03 138.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.16 -74.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mttt 57.0 52.18 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.9 120.59 5.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 151.48 78.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 91.47 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.19 128.85 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -112.07 80.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.9 p -137.79 122.8 19.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -148.12 148.43 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.42 147.59 5.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.7 p -84.71 82.53 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 p -93.54 138.32 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.0 t -34.59 -58.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -51.44 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.67 112.15 2.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -41.83 152.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -50.02 154.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.795 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.9 -42.89 0.11 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.9 mtt -62.31 143.85 95.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 165.39 31.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ARG . 32.7 m-20 -110.37 -52.55 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 12' ' ' LYS . 10.7 ptp180 -35.62 -39.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 9.8 mptt -66.36 118.52 10.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 135.95 57.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -170.61 169.44 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 71.3 mtt85 -68.81 121.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -130.33 -179.35 5.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.16 -37.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.46 -56.56 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 12.2 t80 -48.91 -45.72 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.8 m-85 -60.13 -42.29 94.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.454 ' CD1' HD11 ' A' ' 53' ' ' LEU . 68.7 t80 -64.11 -46.75 82.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG11 HG13 ' A' ' 39' ' ' VAL . 94.8 t -60.75 -46.71 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -53.56 -41.54 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.68 9.07 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -119.75 -24.1 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -42.85 -58.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.666 0.745 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.69 -23.63 30.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.75 -39.02 73.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 ' HB2' HG21 ' A' ' 36' ' ' VAL . 83.7 mt -78.05 -42.67 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' CG ' HG23 ' A' ' 36' ' ' VAL . 14.2 mtp-105 -46.27 -47.69 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -70.41 -36.05 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -55.77 -44.11 77.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.96 44.12 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.3 mt -132.44 143.86 50.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.397 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -122.92 105.64 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.53 -40.08 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -141.36 175.44 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.786 HG13 HG11 ' A' ' 22' ' ' VAL . 24.8 t -50.9 -43.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.51 -39.28 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.1 m-20 -74.44 -37.96 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.28 -13.14 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.9 mt -47.53 -58.41 7.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 27.3 m-85 -59.97 -12.39 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 86.1 m -108.32 -35.72 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' CYS . 51.7 p -36.05 -34.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' CYS . 37.0 m -72.88 -53.02 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.611 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.1 t70 -59.79 -47.64 84.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.538 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.4 t-105 -52.82 -38.41 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.75 -19.23 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 49' ' ' ASP . 33.1 mt -80.5 -29.8 37.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.5 mt -53.4 158.04 1.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -97.77 155.9 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -45.14 -43.86 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.29 -48.67 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 53' ' ' LEU . 28.5 mm-40 -58.96 -53.92 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -53.31 -46.11 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.29 -41.49 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -61.87 -49.1 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.88 -36.82 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -69.89 -37.7 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.42 -34.74 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.72 -54.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -57.51 -56.82 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.52 -35.04 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 72' ' ' GLN . 70.9 t90 -65.07 -51.53 60.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -58.58 -38.68 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.52 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.13 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 63.3 mm-40 -72.46 -26.52 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.7 70.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 75' ' ' ASP . 37.1 tttt -49.19 156.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 19.7 t70 -49.66 139.97 15.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.2 Cg_endo -69.78 1.87 4.05 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.88 169.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.546 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 124.2 10.85 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.9 p -78.33 164.09 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.8 170.51 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.44 150.95 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.89 133.05 34.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -105.68 152.97 40.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.529 0.68 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 176.71 6.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.29 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 85' ' ' VAL . 8.9 t 63.92 40.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -152.72 115.71 4.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -144.56 141.87 29.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -87.65 -51.64 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.21 79.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 92.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.264 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -94.93 94.73 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 m -124.36 155.29 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.497 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -90.26 112.5 24.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.84 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -145.74 156.05 43.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.97 -100.73 0.17 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -46.14 -49.68 16.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -124.62 146.66 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.92 103.63 0.83 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 152.46 66.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.501 0.667 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.12 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -51.4 101.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -81.86 47.65 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -131.73 169.63 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.06 90.82 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -129.3 92.96 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 40.2 mtt-85 -63.28 115.12 4.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -120.1 179.2 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.46 -44.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -58.11 -51.0 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.523 ' CE2' ' HD3' ' A' ' 15' ' ' ARG . 86.4 t80 -52.95 -48.59 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.0 m-85 -59.26 -38.67 80.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -64.9 -50.52 66.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 39' ' ' VAL . 95.4 t -61.9 -33.1 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.99 -41.09 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.17 10.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -120.16 -25.69 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.571 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.2 mt -38.94 -58.71 1.63 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.9 Cg_endo -69.71 -22.62 32.08 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.658 2.239 . . . . 0.0 112.411 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.06 -41.86 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 54.1 mt -74.4 -37.99 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 36' ' ' VAL . 6.1 mtp-105 -50.23 -40.22 46.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -74.0 -37.56 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -56.59 -44.27 80.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.43 47.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 36' ' ' VAL . 84.5 mt -129.68 143.53 49.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 30' ' ' ARG . 1.7 m -122.69 111.19 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.57 -35.44 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -140.4 174.29 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.571 ' N ' HD11 ' A' ' 26' ' ' ILE . 77.0 t -51.96 -49.11 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.93 -35.92 25.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.8 m-20 -73.36 -34.67 65.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.94 -9.65 55.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 mt -47.2 -57.84 8.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.79 -34.83 13.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 17.2 m-85 -79.21 11.41 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' SER . 35.0 m -128.15 -41.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' CYS . 35.0 t -35.14 -44.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -57.88 -57.74 11.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 -38.91 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' HD12 ' A' ' 53' ' ' LEU . 73.7 t-105 -57.94 -40.88 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.13 -34.01 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 57' ' ' GLU . 15.1 mt -55.25 155.91 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.29 167.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -51.65 -46.36 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -50.24 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.795 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 53' ' ' LEU . 24.3 mm-40 -58.37 -54.79 43.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -50.29 -47.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.5 -46.12 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -55.65 -51.73 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.14 -42.52 86.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -65.28 -42.4 93.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.81 -54.07 50.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.0 ptp -60.24 -32.45 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.62 -53.11 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -59.18 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.97 -42.29 84.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.408 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 55.2 t90 -61.79 -46.67 88.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -60.28 -39.49 87.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.57 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.13 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.92 -26.73 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -88.17 -61.27 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' GLY . 15.8 tppt? -35.37 124.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.744 0.307 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 11.1 t70 -129.09 139.77 36.66 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -0.0 6.3 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.253 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.15 -95.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 95.7 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.5 p -162.49 125.21 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -154.56 161.33 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -52.07 140.33 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.92 161.51 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -112.27 144.97 31.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 107.72 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.3 119.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -111.25 130.85 55.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 90.6 m -60.63 -57.96 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -90.87 155.31 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.5 41.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -12.18 32.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.632 2.222 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.5 m 50.67 46.53 25.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -109.48 107.63 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.446 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -94.44 96.56 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -74.73 96.06 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.48 -45.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -109.33 -51.6 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -167.14 174.41 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.86 -94.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -136.24 144.2 46.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 132.73 23.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -152.97 108.06 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.21 83.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -109.3 112.99 25.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.6 95.42 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -123.01 169.39 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -91.53 146.89 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ALA . 6.0 t-20 -163.96 166.62 21.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.675 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.7 -44.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.69 -53.01 62.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -51.89 -49.62 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.99 -33.77 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.46 -45.46 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.68 -32.48 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -63.96 -34.28 77.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.39 5.91 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -117.46 -21.47 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.586 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -42.02 -58.06 3.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.71 -22.68 31.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.91 -37.94 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 34' ' ' LEU . 83.7 mt -78.98 -37.48 39.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' HG3' HG23 ' A' ' 36' ' ' VAL . 20.2 mtt-85 -52.2 -36.1 51.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -82.07 -28.69 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -63.88 -39.02 93.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.37 44.61 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -131.07 142.31 45.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -135.41 121.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.54 -20.96 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -163.08 174.13 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.586 ' N ' HD11 ' A' ' 26' ' ' ILE . 21.3 t -45.53 -53.7 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.95 -39.27 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t0 -74.01 -40.55 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.58 5.87 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.59 18.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.75 -40.03 5.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.24 -7.49 9.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 33.1 m -113.51 -31.25 6.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 4.8 t -36.83 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 67.5 m -76.0 -53.43 8.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.784 ' HA ' HD12 ' A' ' 52' ' ' LEU . 6.2 t70 -62.97 -41.81 99.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.3 t-105 -59.71 -36.19 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.01 -18.84 65.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 49' ' ' ASP . 18.9 mt -80.25 -30.25 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.8 mt -53.56 158.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -102.62 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -48.05 -47.82 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -53.42 -52.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.601 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.4 mm-40 -55.05 -57.0 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.64 -46.49 28.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -59.44 -51.21 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.66 -51.61 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.437 ' CD1' ' HE3' ' A' ' 64' ' ' MET . 26.0 m-85 -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.675 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 3.3 tp10 -62.79 -55.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.5 ptp -58.94 -32.78 69.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.35 -44.26 79.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -67.16 -36.82 82.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 12.7 mt-10 -67.62 -43.37 80.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -65.56 -46.65 78.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -60.24 -45.1 94.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.68 -51.9 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.66 75.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -77.17 -25.04 51.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.18 -59.27 3.16 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' ASP . 17.5 ptmt -88.56 38.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 1.4 t70 -37.93 141.21 0.51 Allowed Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.84 -15.53 36.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.72 -95.48 0.6 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.473 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 112.45 3.06 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.3 p -86.81 133.82 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.65 155.2 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -157.22 123.22 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -74.53 175.44 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 14.3 ttmt -131.08 140.64 39.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.49 0.662 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 83' ' ' LYS . 53.4 Cg_endo -69.72 152.87 69.62 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.92 -33.12 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -174.14 127.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.1 m -128.94 141.19 51.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 t -135.81 134.42 38.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.86 -159.86 28.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.638 2.226 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -168.67 162.65 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 82.55 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -79.8 82.3 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m 48.21 52.3 13.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.4 129.15 4.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 139.58 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -65.68 175.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.41 56.12 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.5 mtt -120.36 143.85 36.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 131.24 20.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -57.89 123.95 17.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -126.32 156.41 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.21 83.74 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.93 147.77 22.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.4 p -106.1 -43.65 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -85.61 133.83 34.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ALA . 13.7 m120 -148.64 172.21 14.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.17 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -61.5 -51.36 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.76 -45.79 67.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.9 m-85 -61.33 -38.75 88.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -70.73 -41.91 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.817 HG11 HG13 ' A' ' 39' ' ' VAL . 44.5 t -69.4 -37.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -62.76 -35.66 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.77 1.23 39.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -112.02 -16.29 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -51.12 -57.85 12.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.7 Cg_endo -69.79 -23.88 30.15 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.27 -37.73 74.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.74 -41.06 46.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -46.15 -42.87 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 15.5 mtp-105 -73.14 -34.46 66.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -57.67 -44.06 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 42.98 0.35 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.7 mt -127.12 144.09 49.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.13 129.2 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.01 -32.29 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.84 -178.87 6.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.817 HG13 HG11 ' A' ' 22' ' ' VAL . 68.4 t -50.85 -54.96 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.85 -29.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 75.9 m-20 -86.71 -40.23 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.0 2.81 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -62.76 -58.72 15.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.9 Cg_endo -69.85 -43.51 2.54 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 25.9 m-85 -61.93 -8.6 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' SER . 94.3 m -117.05 -29.43 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 p -38.62 -31.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' CYS . 35.9 p -75.85 -53.27 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.47 -44.45 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.4 t-105 -57.0 -36.33 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.23 -12.82 62.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.49 -22.24 23.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 8.0 mt -58.95 158.71 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.59 162.7 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.18 -50.04 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -54.51 -44.43 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.3 mm-40 -60.13 -56.62 19.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -51.93 -40.06 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.7 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.95 -42.93 84.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -68.35 -32.81 73.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.415 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.52 -49.12 76.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 24.0 ptm -60.1 -45.41 93.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -59.85 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -57.08 -48.86 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -57.56 -38.69 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -64.6 -46.89 80.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -63.1 -45.66 91.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.98 96.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.31 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -77.56 -25.7 50.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 71.84 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -71.8 149.54 45.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.76 143.87 28.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -17.59 37.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.44 146.31 4.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 108.22 2.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.595 2.197 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t 54.55 40.97 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -144.25 154.98 43.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -140.26 176.28 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -155.35 135.55 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 143.97 92.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 177.22 5.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.2 t -97.78 105.07 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -53.29 124.92 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -151.67 155.18 37.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -144.34 114.82 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.82 -95.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.72 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 t 60.14 33.84 21.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -92.76 -43.95 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -125.7 -51.12 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.794 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -93.11 117.87 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.78 -125.53 7.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -163.13 164.32 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -169.86 137.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.27 -123.54 5.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.8 ptm -155.92 143.74 14.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.628 2.218 . . . . 0.0 112.445 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -105.11 134.05 48.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -65.6 103.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -133.8 111.4 10.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.59 129.7 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 m -113.9 125.9 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -105.15 149.7 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' TYR . 3.1 t-20 -160.92 159.28 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.733 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -33.29 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -65.19 -53.58 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CE1' HG21 ' A' ' 39' ' ' VAL . 59.1 t80 -50.87 -46.96 60.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.5 m-85 -56.4 -44.0 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.27 -48.04 77.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 39' ' ' VAL . 90.5 t -62.8 -38.36 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -60.36 -41.68 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.86 8.15 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -120.08 -23.12 6.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -41.35 -58.46 2.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 111.153 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.5 Cg_endo -69.7 -21.17 34.16 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.764 2.31 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.27 -36.63 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.31 -40.43 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.795 ' HG3' HG23 ' A' ' 36' ' ' VAL . 55.3 mtp85 -48.77 -41.17 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -71.05 -42.54 69.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -52.44 -40.48 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.67 45.6 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 36' ' ' VAL . 90.6 mt -129.01 143.44 48.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 85.1 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -126.06 108.98 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.61 -40.07 8.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -139.59 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 19' ' ' TYR . 65.3 t -48.75 -51.81 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.4 -37.3 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -77.74 -39.03 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.58 5.85 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -66.17 -58.19 11.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.75 -44.97 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 30.4 m-85 -57.63 -12.66 3.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 75.9 m -110.34 -30.04 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.2 p -34.93 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.3 t -72.01 -55.99 6.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -57.43 -47.1 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.8 t-105 -58.61 -36.34 73.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.03 -8.9 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.68 -23.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 5.8 mt -56.81 156.74 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -94.7 156.11 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -46.6 -44.99 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.07 -47.17 81.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.542 ' CB ' HD22 ' A' ' 53' ' ' LEU . 32.9 mm-40 -59.2 -55.34 36.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -52.16 -45.95 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.15 -41.65 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -61.24 -49.48 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -59.63 -37.35 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -68.54 -40.09 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.46 -49.38 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 ptm -65.39 -28.99 69.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -70.71 -60.14 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -56.94 -56.56 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 7.3 pt-20 -53.4 -43.89 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 65.2 t90 -57.98 -49.64 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -42.52 88.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.86 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.79 -36.59 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -74.65 -21.64 59.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.96 -56.82 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -85.91 119.58 26.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 2.5 t70 -174.59 140.7 0.71 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.8 -3.92 13.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.86 84.03 0.37 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -40.29 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.64 2.227 . . . . 0.0 112.274 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -52.01 104.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.25 145.28 29.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -115.92 123.35 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -163.84 146.81 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -138.74 143.97 39.95 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.93 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.9 t -88.32 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -166.92 134.36 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 t -48.03 133.89 14.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -56.94 132.26 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.82 83.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 150.33 67.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.1 p -113.22 -54.35 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.4 t -66.36 81.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 52.1 p 34.5 42.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -54.1 -46.05 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.8 41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -87.92 92.79 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -53.43 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.81 173.39 13.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -136.94 145.57 51.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.533 0.682 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 179.63 3.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.407 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -151.56 154.76 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 1.1 tpm_? -172.28 113.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.5 tttm 62.98 42.42 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.82 175.62 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.999 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -52.55 174.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -66.46 123.68 20.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 m-80 -126.17 175.73 7.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.54 -35.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -69.93 -48.09 59.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ASN . 21.4 t80 -58.26 -41.72 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.6 m-85 -61.79 -40.45 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 53' ' ' LEU . 80.1 t80 -66.91 -48.28 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 39' ' ' VAL . 31.7 t -62.29 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -44.97 78.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.98 8.89 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -119.68 -18.57 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -46.07 -57.74 7.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -25.77 28.11 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.08 -24.89 63.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.709 ' HB2' HG21 ' A' ' 36' ' ' VAL . 14.3 mt -91.14 -43.38 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.791 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.8 mtt180 -49.98 -33.18 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -75.74 -36.35 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -60.71 -40.33 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.59 39.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 36' ' ' VAL . 49.8 mt -124.18 142.84 41.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.83 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -125.91 107.26 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.96 -31.51 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -137.04 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 22' ' ' VAL . 97.3 t -56.11 -53.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.12 -30.86 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.24 -39.39 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.48 6.17 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.2 mt -61.63 -58.62 17.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.72 -40.07 5.82 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.743 2.295 . . . . 0.0 112.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.88 -6.75 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 m -120.75 -19.31 7.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -46.13 -23.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.7 p -86.4 -41.54 14.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' HD12 ' A' ' 52' ' ' LEU . 54.9 m-20 -67.96 -41.77 81.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 53' ' ' LEU . 65.2 t-105 -61.55 -36.11 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.46 66.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 49' ' ' ASP . 49.6 mt -79.82 -32.37 40.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 57' ' ' GLU . 11.5 mt -49.57 149.45 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -91.79 159.13 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -46.15 -49.31 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.54 -46.63 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.2 mm-40 -58.99 -56.2 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 58.9 mttt -48.99 -47.99 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.69 -50.67 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.83 -52.87 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -56.5 -42.51 78.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.76 -41.35 92.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -60.03 -50.53 73.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 8.0 ptp -63.69 -33.61 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.35 -58.71 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.34 -57.56 12.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -52.05 -31.83 31.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -69.84 -52.03 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.28 -43.58 92.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.18 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.63 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -74.34 -25.96 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.43 -73.05 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -73.43 131.29 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 21.5 t70 -87.67 140.0 31.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.9 Cg_endo -69.76 -19.83 35.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.92 170.63 13.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.79 36.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -72.82 157.3 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -92.25 136.09 33.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' GLN . 1.6 tmtt? -171.7 148.01 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' LYS . 38.0 tt0 -35.08 102.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -136.97 137.43 23.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 53.8 Cg_endo -69.77 -164.2 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.45 104.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -42.84 142.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -112.75 88.94 2.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -48.02 146.92 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.99 152.32 20.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.619 2.213 . . . . 0.0 112.363 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 t -173.77 171.08 3.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.4 m -110.63 164.95 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -136.61 125.45 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -66.62 93.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.35 132.51 1.47 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.568 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -169.24 119.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -45.41 -57.64 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.805 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.75 -127.51 8.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.573 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -126.51 134.93 26.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.539 0.685 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -173.06 121.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' N ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -145.29 128.95 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -116.06 93.18 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.67 164.83 36.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 t -85.07 -52.26 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.42 107.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.3 t-20 -123.61 -177.8 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -37.52 -46.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -58.49 -51.79 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -53.61 -43.94 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.4 m-85 -64.87 -32.78 74.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.26 -41.97 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.31 -36.91 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.14 -42.5 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -78.38 0.55 25.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -110.31 -21.63 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -40.91 -58.65 2.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.82 -25.2 28.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -69.35 -41.34 76.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 25.8 mt -73.88 -39.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.761 ' HG3' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp180 -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -64.11 -39.07 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -58.79 -41.64 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 29.23 1.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.556 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.5 mt -108.77 144.05 28.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -128.01 113.27 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.53 -37.61 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -139.42 -175.66 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.44 -52.23 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.92 -32.73 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 5.3 m-20 -76.18 -42.06 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.27 24.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.2 mt -65.81 -58.76 10.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.69 -45.58 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.3 m-85 -56.59 -13.04 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' SER . 39.0 m -110.62 -30.58 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 49.2 p -35.7 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.6 m -77.23 -52.33 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.71 -44.45 93.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -54.4 -36.47 63.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -17.9 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.99 -28.93 39.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 57' ' ' GLU . 17.2 mt -58.3 159.68 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -107.57 164.39 12.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.8 -47.38 10.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -54.12 -52.54 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -56.49 -55.36 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -50.2 -45.04 53.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.12 -49.47 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -53.99 -51.69 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -57.13 -41.81 79.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.19 -39.26 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.49 -52.05 65.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.9 ptm -63.14 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -67.76 -58.28 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -59.26 -56.87 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.1 -39.25 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -64.31 -51.91 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.12 -46.34 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.85 53.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.57 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -68.29 -26.63 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.06 44.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -132.92 73.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.25 144.08 62.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.81 37.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.604 2.203 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.46 -158.45 24.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.48 45.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.386 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -116.88 99.13 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -76.1 170.46 16.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -103.52 48.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -124.31 99.66 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 8.1 pttm -132.91 81.79 57.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 149.59 67.11 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -125.74 128.56 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -75.52 148.98 38.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.3 m -118.29 125.4 50.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.1 p -86.42 152.02 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.48 74.09 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 1.48 4.33 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.666 2.244 . . . . 0.0 112.399 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m 57.14 49.52 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.2 p -82.47 169.67 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -105.11 104.76 14.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p 45.44 42.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.95 47.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -172.01 128.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -69.31 142.26 54.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.84 -165.76 24.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 ptp -110.71 143.81 28.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.2 50.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.302 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -63.16 167.92 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 88' ' ' SER . 26.9 ttt-85 -119.68 -57.91 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.18 101.16 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.99 176.5 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.5 p -169.83 156.87 6.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -66.14 150.66 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ALA . 27.6 m120 -159.92 171.27 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -35.3 -44.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -56.32 -54.44 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -49.79 -50.99 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.02 -39.34 78.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.49 -51.85 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 63.0 t -60.45 -42.91 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -53.69 -41.9 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.75 12.57 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -123.39 -22.96 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -41.15 -58.72 2.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.4 Cg_endo -69.75 -22.58 31.91 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.26 . . . . 0.0 112.332 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -72.42 -39.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 36' ' ' VAL . 87.6 mt -79.37 -42.41 25.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 36' ' ' VAL . 34.4 mtp180 -46.71 -45.57 19.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.59 -37.84 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -53.19 -43.91 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.87 42.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 36' ' ' VAL . 85.2 mt -130.07 143.33 48.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 84.47 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 30' ' ' ARG . 2.0 m -126.36 108.63 19.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.87 -34.25 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -143.26 171.29 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 22' ' ' VAL . 71.9 t -48.49 -49.13 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -46.84 -38.42 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 4.9 m-20 -73.84 -36.75 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -82.57 -14.23 55.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 mt -46.58 -58.12 7.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.75 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.6 Cg_endo -69.76 -36.38 10.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 21.0 m-85 -75.88 6.03 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 5.2 m -117.73 -40.33 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' CYS . 84.2 p -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' CYS . 20.9 m -63.75 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.521 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.54 -39.72 81.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 53' ' ' LEU . 76.1 t-105 -58.67 -43.05 89.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.57 -22.8 64.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 49' ' ' ASP . 42.4 mt -78.45 -32.34 48.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.1 mt -52.25 151.91 3.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -93.7 162.66 13.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.61 -48.32 49.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.05 -46.31 75.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.644 ' HB3' HD22 ' A' ' 53' ' ' LEU . 60.0 mm-40 -59.18 -54.58 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -50.4 -47.79 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.88 -46.74 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -55.02 -52.27 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.83 -42.89 85.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.82 -42.18 95.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -60.2 -54.87 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 2.5 ptp -58.82 -33.7 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.26 -48.19 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -61.4 -47.73 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.18 -41.24 92.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.488 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 47.6 t90 -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 19.6 mmm-85 -62.35 -40.08 95.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.88 -48.95 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.63 86.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 80.8 mm-40 -70.84 -26.65 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.04 -51.84 4.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.67 98.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -109.39 140.17 21.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.664 0.745 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -0.16 6.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.86 140.03 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.7 Cg_endo -69.82 -1.62 8.82 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' PRO . 24.9 t -37.01 -65.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -158.84 164.68 35.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -101.63 -48.31 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.33 153.42 21.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -72.98 140.14 80.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 116.4 4.55 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 85' ' ' VAL . 13.4 p -133.9 129.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -100.97 124.06 46.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -98.37 97.35 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.428 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 21.6 m -62.53 155.33 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 -162.47 16.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.34 38.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -76.44 -49.49 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m 49.17 42.39 21.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -54.06 109.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -158.26 132.81 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.62 -96.49 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -138.74 173.63 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -82.47 151.92 26.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.32 -125.46 5.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.469 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 6.2 ttt -132.19 140.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 8' ' ' MET . 54.7 Cg_endo -69.75 127.7 14.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.73 2.287 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -102.73 161.97 13.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -141.24 169.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mttt 46.92 45.15 15.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 153.56 41.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.1 m -102.41 -43.53 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -105.49 130.87 53.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -142.67 179.32 7.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.2 -47.09 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -56.31 -53.31 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.62 -48.44 69.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -56.96 -39.84 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 t80 -69.45 -54.83 12.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' CG1' HG13 ' A' ' 39' ' ' VAL . 53.7 t -57.16 -37.09 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.33 -35.39 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -82.44 7.31 14.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 21' ' ' PHE . 60.9 mmtt -117.7 -22.15 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -38.86 -58.62 1.63 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -22.88 31.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.77 -29.67 64.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB2' HG21 ' A' ' 36' ' ' VAL . 20.3 mt -84.03 -43.74 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 36' ' ' VAL . 53.4 mtp180 -44.28 -39.48 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -75.65 -30.56 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.7 mtt180 -63.42 -42.81 98.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.28 43.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 36' ' ' VAL . 26.4 mt -130.2 142.8 46.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -121.65 114.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.57 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 4.3 ptp180 -144.87 -178.38 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' CG1' ' A' ' 22' ' ' VAL . 78.4 t -55.23 -56.07 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.93 -30.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.79 -44.15 19.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.33 5.86 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.5 mt -63.99 -58.13 15.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.9 Cg_endo -69.73 -42.39 3.47 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.71 -10.65 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' SER . 6.1 m -111.76 -26.5 8.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' CYS . 8.3 t -38.09 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' CYS . 69.4 m -78.36 -52.28 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.19 -46.99 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.629 ' HA ' HD12 ' A' ' 53' ' ' LEU . 72.0 t-105 -55.52 -33.82 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.18 -20.91 62.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.21 -22.11 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 57' ' ' GLU . 9.5 mt -62.73 163.76 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -109.12 163.36 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -45.93 -45.03 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -55.45 -49.82 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.679 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.6 mm-40 -58.73 -53.77 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -52.66 -45.56 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.96 -41.07 97.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -59.5 -50.53 73.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -61.57 -37.8 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.62 81.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.3 -53.99 24.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 ptm -62.0 -32.03 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.79 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -58.07 -55.44 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.83 -37.77 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -62.99 -52.13 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -56.79 -44.95 82.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.18 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.73 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.73 -19.94 40.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.44 -47.06 7.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt 45.6 44.8 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.99 146.59 55.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 110.947 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -9.04 25.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.98 147.2 22.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.1 t -71.21 155.59 40.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.95 158.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -112.59 117.49 32.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -84.71 99.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -168.19 134.2 1.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.663 0.744 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 165.08 32.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.794 2.329 . . . . 0.0 112.302 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.02 140.38 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 87' ' ' THR . 93.4 t80 -156.06 164.64 38.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 86' ' ' PHE . 50.4 p -124.47 129.26 50.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -125.18 97.74 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.35 148.6 24.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 156.42 63.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -85.5 -41.93 14.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -59.77 -178.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -56.51 178.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -86.1 -36.21 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.73 78.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -156.31 150.8 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -100.81 -29.01 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.93 167.69 27.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -83.02 143.77 46.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.15 7.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -79.34 83.91 5.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -121.2 -55.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -60.61 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.24 122.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 m -148.78 112.36 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.811 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -124.43 133.6 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.5 t-20 -144.15 174.14 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -36.05 -48.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -58.37 -53.0 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -48.18 -50.05 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.26 -42.37 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.39 -53.43 57.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.09 -35.27 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tt0 -60.1 -39.21 85.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -82.64 5.19 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.79 -18.93 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 23' ' ' GLN . 2.6 mt -46.69 -57.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.581 0.705 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.1 Cg_endo -69.75 -23.75 30.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.412 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.48 -40.18 70.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 36' ' ' VAL . 44.0 mt -75.68 -35.24 60.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.644 ' CG ' HG23 ' A' ' 36' ' ' VAL . 62.8 mtp180 -57.28 -36.86 71.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -79.99 -29.83 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' VAL . 44.6 mt -131.85 143.89 50.97 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.23 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -125.06 122.57 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.44 -28.77 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -165.09 173.96 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' N ' HD11 ' A' ' 26' ' ' ILE . 24.8 t -38.49 -62.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -36.87 -40.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.24 -42.35 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . -81.96 1.66 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -59.75 -58.75 17.14 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.663 0.744 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.8 Cg_endo -69.83 -37.51 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.286 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -70.04 -0.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' SER . 24.4 m -118.65 -33.77 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.0 p -37.56 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' CYS . 52.8 p -73.62 -53.96 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.14 -42.48 99.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CE3' HD12 ' A' ' 53' ' ' LEU . 74.8 t-105 -57.78 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.17 -14.39 62.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.81 -23.88 25.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD12 ' CE3' ' A' ' 50' ' ' TRP . 18.3 mt -61.1 159.25 12.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -106.75 162.96 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -46.49 -47.83 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.31 -51.94 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.626 ' CB ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -56.49 -54.49 45.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -49.79 -46.83 51.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.63 -52.77 64.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -50.47 -54.87 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -54.81 -41.28 70.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.15 -41.32 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.34 -49.99 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.5 ptp -64.73 -32.05 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.72 -57.31 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 4.5 ptp180 -58.89 -55.67 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -52.03 -42.33 62.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.3 -51.16 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -57.83 -41.39 82.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.03 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.38 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -79.71 -25.97 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.57 76.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -50.04 162.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 12.3 t70 -100.56 139.78 20.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 54.0 Cg_endo -69.71 -0.72 7.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.89 -161.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -0.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.731 2.288 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.8 p -57.29 159.96 4.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.39 149.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 105.31 11.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -101.12 150.58 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 143.86 29.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.583 0.706 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.62 61.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -98.91 116.58 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.95 157.74 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.9 t -170.0 158.2 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -112.01 155.79 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.83 146.26 18.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 103.07 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.219 . . . . 0.0 112.326 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 p -41.62 -38.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.6 m 55.34 37.3 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -159.86 160.08 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -71.79 124.11 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 57.06 41.42 27.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -148.7 176.16 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.806 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.41 -140.54 7.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 ptm -53.77 150.8 12.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.712 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -18.31 37.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.254 . . . . 0.0 112.343 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 119.58 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -155.72 152.96 29.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -92.8 173.71 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.78 115.33 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -135.98 145.45 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -55.93 113.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' TYR . 21.1 m120 -121.3 173.24 7.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.68 -49.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -54.05 -45.65 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -62.28 -43.95 97.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -64.31 -27.54 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 53' ' ' LEU . 73.1 t80 -80.17 -36.95 34.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.81 HG11 HG13 ' A' ' 39' ' ' VAL . 20.2 t -73.35 -41.46 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -39.15 82.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.09 9.47 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -121.7 -24.07 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -43.31 -57.86 4.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.729 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.277 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.13 -33.67 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 HD12 ' A' ' 34' ' ' LEU . 51.2 mt -81.2 -47.56 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.666 ' HG3' HG23 ' A' ' 36' ' ' VAL . 16.8 mtp85 -39.81 -43.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -69.81 -40.5 75.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -55.69 -41.01 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.12 42.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 29' ' ' LEU . 91.0 mt -125.84 144.14 47.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.545 0.688 . . . . 0.0 110.986 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 88.21 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.571 2.181 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -128.45 106.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.87 -42.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -139.57 -178.07 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 22' ' ' VAL . 54.8 t -55.49 -50.56 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.22 -28.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -42.92 15.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.04 7.61 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.5 mt -67.37 -58.66 8.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.2 Cg_endo -69.7 -42.38 3.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.91 -11.38 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.88 17.98 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 97.0 p -70.04 -44.98 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -73.86 -40.73 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.27 -36.84 73.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CE3' HD12 ' A' ' 53' ' ' LEU . 66.3 t-105 -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.93 -11.81 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 80.5 mt -85.98 -22.3 27.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.4 mt -60.93 158.16 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -92.44 155.9 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -46.84 -47.02 21.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.8 -45.48 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.597 ' HB3' HD22 ' A' ' 53' ' ' LEU . 23.6 mm-40 -59.69 -55.15 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -50.65 -47.06 58.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.61 -48.21 81.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.35 -52.16 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -57.29 -42.06 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.528 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.31 -44.6 87.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.73 -50.78 72.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -61.64 -33.92 74.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.59 -59.55 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 3.6 ptm180 -60.13 -56.9 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.08 -34.79 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -68.55 -52.91 26.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 66' ' ' ARG . 25.8 mtm105 -60.56 -41.45 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.06 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -75.09 -24.45 58.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.8 -35.66 7.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 28.9 mttm 51.98 42.26 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 1.8 p30 -36.46 151.92 0.1 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -6.35 18.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.06 83.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.87 31.74 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -94.21 171.19 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -99.07 152.64 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -106.07 169.85 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -162.4 120.84 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -106.4 89.44 4.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -141.27 141.98 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -128.19 114.79 17.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m 67.93 42.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.3 p -38.73 140.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.27 148.62 40.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.71 -46.16 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' PRO . 6.2 t -35.77 -50.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.7 t 66.24 45.51 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.517 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -124.89 -53.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -75.2 128.66 35.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.74 83.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.445 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -75.57 -46.57 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -99.22 135.18 41.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.53 73.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.473 ' CE ' ' HD2' ' A' ' 9' ' ' PRO . 6.3 tpt -134.38 132.91 21.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 53.3 Cg_endo -69.72 161.61 45.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -117.75 -45.47 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttm105 -121.35 143.88 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -132.86 -176.58 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -131.03 -47.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . 36.4 m -35.47 -65.54 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -131.07 119.12 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.6 m120 -129.78 170.5 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.34 -49.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.06 -48.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 5.7 t80 -55.84 -46.19 78.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.82 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -64.66 -47.87 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.86 -42.21 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.57 8.63 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -121.11 -19.49 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -46.6 -58.66 6.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.78 -22.51 31.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.41 -36.88 68.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD11 ' SG ' ' A' ' 46' ' ' CYS . 19.5 mt -79.2 -47.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 36' ' ' VAL . 23.8 mtp85 -39.05 -45.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -68.35 -40.94 81.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 10.5 mtp-105 -52.63 -45.6 66.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.83 40.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 36' ' ' VAL . 82.2 mt -122.93 143.84 41.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 89.47 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -135.13 114.49 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.111 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.89 -30.01 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -146.99 -178.43 6.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.416 ' N ' HD11 ' A' ' 26' ' ' ILE . 31.7 t -58.01 -53.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.59 -40.5 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.15 7.65 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -63.38 -58.21 16.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.723 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.7 Cg_endo -69.68 -41.33 4.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -61.46 -8.98 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 29' ' ' LEU . 97.4 m -130.56 26.67 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 t -83.12 -40.3 19.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 m -77.62 -37.75 49.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.2 m-20 -64.02 -38.52 91.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE3' HD12 ' A' ' 53' ' ' LEU . 64.8 t-105 -64.85 -34.81 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.29 -13.85 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ASP . 79.2 mt -82.4 -31.89 29.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 10.1 mt -50.83 159.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.0 mtm180 -102.81 149.1 24.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ARG . 9.6 tp10 -35.36 -52.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.81 -50.62 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 52.5 mm-40 -60.03 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -52.58 -44.27 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.65 -42.15 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -60.28 -48.62 80.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.01 -37.22 84.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.781 ' HB1' ' NH2' ' A' ' 66' ' ' ARG . . . -71.5 -43.08 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.48 -50.33 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.53 -34.04 77.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.31 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.781 ' NH2' ' HB1' ' A' ' 62' ' ' ALA . 10.6 ptp180 -59.76 -57.67 11.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -49.97 -35.69 25.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -67.86 -53.09 29.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -57.42 -39.53 76.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.71 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -31.9 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -82.89 -21.68 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -86.16 -42.94 6.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLY . 7.9 tptp 34.33 36.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 73' ' ' GLY . 71.4 m-20 -110.16 145.5 32.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.571 0.701 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.67 5.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.39 82.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 95.8 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t 65.2 44.87 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.97 143.08 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -96.03 151.55 19.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -174.98 144.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.66 143.99 98.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.505 0.669 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.97 3.3 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 85' ' ' VAL . 12.7 p -159.72 120.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -144.01 119.16 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.3 p -118.36 138.5 52.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.6 p -77.01 165.78 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.1 -172.25 44.48 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.39 3.56 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.376 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m 60.82 51.9 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -135.44 174.97 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -134.16 -58.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -71.35 140.84 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.69 132.02 52.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -115.15 115.31 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.822 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -73.53 -52.41 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.95 -107.19 0.44 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.95 135.09 42.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 100.9 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.604 2.203 . . . . 0.0 112.409 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -127.45 167.77 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -112.3 142.09 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.58 136.95 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.99 -47.62 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 m -47.1 172.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -87.97 130.77 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.0 t-20 -141.22 176.27 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.73 -49.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -56.6 -53.28 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 8.9 t80 -49.21 -44.47 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.34 -38.81 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -63.54 -43.94 95.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.47 -25.88 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -78.05 -26.88 48.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -92.65 3.83 54.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 mmtp -117.19 -23.5 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -38.14 -57.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.1 Cg_endo -69.85 -21.52 32.95 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' LYS . 11.3 tt0 -72.38 -41.52 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.9 mt -74.73 -39.46 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HG3' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -48.79 -40.77 30.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -77.55 -28.43 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.42 -42.82 98.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.21 38.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.8 mt -127.03 144.03 48.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -124.09 104.39 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.64 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -142.8 176.89 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' CG2' HD11 ' A' ' 26' ' ' ILE . 28.9 t -55.04 -49.67 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.22 -30.32 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.19 -42.6 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -10.09 59.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -47.15 -58.19 7.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.87 -43.16 2.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.613 2.208 . . . . 0.0 112.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -66.87 -6.05 14.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -118.37 -8.14 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 -58.23 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 p -55.34 -27.6 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.9 m-20 -82.44 -33.45 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.2 t-105 -65.86 -32.29 73.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.36 -14.05 62.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 49' ' ' ASP . 29.5 mt -85.29 -26.07 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.1 mt -57.42 157.04 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -100.33 161.77 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -47.86 -45.18 29.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.77 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CB ' HD22 ' A' ' 53' ' ' LEU . 1.3 mm-40 -56.38 -54.5 44.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -49.37 -47.92 47.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.53 -47.88 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -53.73 -54.61 35.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -56.17 -41.06 74.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -66.64 -39.46 88.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.5 -49.67 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 68' ' ' TRP . 11.1 ptp -65.55 -28.96 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.04 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -57.28 -56.34 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 8.1 pt-20 -53.46 -43.59 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 60.3 t90 -60.46 -47.45 86.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -62.18 -41.05 97.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.52 87.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.46 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -75.25 -23.51 57.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.99 -69.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -116.54 152.81 33.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -160.17 144.5 10.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.26 15.79 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.07 -90.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.566 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 153.24 69.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.8 p -137.61 126.81 24.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -50.8 154.4 1.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.36 110.85 22.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -38.63 137.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -129.42 143.06 47.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.3 Cg_endo -69.72 -167.27 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 85' ' ' VAL . 12.2 p 33.51 44.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' VAL . 82.0 m-85 -34.23 -41.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -94.75 118.67 32.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.1 t -64.96 -62.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.1 -158.18 15.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 121.1 7.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.5 p -100.71 174.92 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 p -73.69 -47.05 42.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -59.28 169.93 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.814 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -90.44 -59.19 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.94 -133.24 11.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -108.44 -59.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -63.17 127.77 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.22 -112.33 0.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -128.64 149.57 72.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.532 0.682 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 134.09 27.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -85.83 161.44 19.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -86.54 -45.85 10.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -68.47 156.84 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.69 97.34 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -120.08 177.07 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HD3' ' CD1' ' A' ' 19' ' ' TYR . 15.4 mmp_? -48.59 132.81 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.9 t-20 -147.44 163.89 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 50' ' ' TRP . . . -35.14 -37.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -62.93 -46.06 89.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 7.9 t80 -66.93 -42.75 84.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -65.66 -40.51 92.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.12 -40.55 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.714 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 53.7 t -68.7 -38.97 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.23 -46.56 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.91 6.94 6.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -120.1 -23.76 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 mt -45.53 -57.81 7.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.711 0.767 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.78 -22.96 31.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -70.3 -32.71 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 26.9 mt -79.97 -46.66 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -42.3 -29.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -79.21 -34.89 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 30.7 mtp180 -65.04 -40.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.45 43.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -124.14 139.64 33.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.53 0.681 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.236 . . . . 0.0 112.325 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 29' ' ' LEU . 4.5 m -136.75 119.47 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.4 -37.89 6.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -137.83 -177.07 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG13 HG11 ' A' ' 22' ' ' VAL . 88.3 t -58.64 -47.31 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.01 -25.06 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.24 -39.65 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.714 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -86.97 10.88 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -68.52 -57.79 8.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.28 . . . . 0.0 112.293 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.33 -8.85 9.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' ASP . 3.9 p -121.72 -20.79 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' CYS . 18.8 t -35.97 -34.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 86.8 p -86.68 -40.78 14.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' LEU . 10.7 t0 -60.07 -43.24 95.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.1 t-105 -57.48 -39.76 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.65 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' ASP . 89.1 mt -78.24 -27.33 47.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' CE3' ' A' ' 50' ' ' TRP . 12.0 mt -57.73 160.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -101.63 153.39 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -40.78 -47.44 2.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.3 mp0 -53.92 -50.29 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.9 mm-40 -59.16 -52.67 64.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -51.49 -47.42 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.81 -53.32 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -49.53 -55.18 14.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -55.71 -42.79 75.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.28 90.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.97 -49.87 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 10.1 ptp -63.51 -35.22 79.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.08 -60.24 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -55.37 -57.81 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.26 -35.58 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -66.61 -48.62 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.5 mtp-105 -61.04 -38.53 86.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.68 82.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.26 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -79.78 -24.12 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.06 69.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -49.08 -49.65 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -149.68 139.22 13.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 -17.64 37.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.707 2.271 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.81 79.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 -47.45 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -82.43 114.5 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.52 155.52 18.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -154.19 166.61 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -110.21 133.03 53.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.94 84.97 9.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 178.42 4.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.9 m -50.91 146.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -74.83 118.66 18.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.6 p -93.04 -42.39 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -75.2 91.65 2.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.37 179.21 16.48 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.71 136.96 34.47 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.652 2.235 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.5 m -84.86 126.4 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.6 m -110.26 42.08 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -71.83 -60.13 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -50.13 172.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.8 78.23 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -90.92 46.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 158.24 44.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.09 64.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.532 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -159.96 151.8 16.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.713 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 93.21 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -85.24 120.71 27.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -72.2 -53.5 12.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 147.09 23.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.0 113.16 24.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 m -110.86 169.1 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -97.39 124.09 41.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.01 178.68 5.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.653 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -44.61 -35.7 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.43 -41.63 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -45.49 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.7 m-85 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' HA ' ' CE1' ' A' ' 61' ' ' TYR . 37.9 t80 -59.05 -39.97 83.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 42' ' ' ALA . 54.8 t -75.81 -39.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.449 ' OE1' ' CG2' ' A' ' 39' ' ' VAL . 2.2 tp60 -53.86 -48.43 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -78.91 9.61 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -121.86 -23.72 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.8 mt -43.36 -57.92 4.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -20.51 34.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.625 2.216 . . . . 0.0 112.365 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.38 -39.21 68.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 34' ' ' LEU . 77.2 mt -74.44 -42.86 58.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HG3' HG23 ' A' ' 36' ' ' VAL . 3.5 mtp-105 -46.75 -35.13 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -75.47 -41.04 56.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -55.41 -41.71 73.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.68 45.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 29' ' ' LEU . 95.3 mt -126.75 141.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.688 0.756 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 80.05 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -123.4 117.67 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.87 -35.17 9.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -150.43 -176.73 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.57 ' N ' HD11 ' A' ' 26' ' ' ILE . 55.1 t -53.62 -51.14 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 -40.72 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -86.03 11.63 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.44 -57.85 6.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.79 -11.43 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 p -117.28 -24.84 7.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' CYS . 16.5 t -36.27 -32.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . 89.6 p -85.5 -42.52 14.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.7 t70 -62.5 -47.96 81.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.51 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.0 t-105 -53.51 -36.38 61.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.27 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.2 -27.97 38.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.7 mt -54.59 165.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -104.68 164.13 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.41 -47.31 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.09 -50.12 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.3 mm-40 -59.44 -55.41 35.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -52.47 -34.65 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.76 -40.28 76.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HG2' ' HE3' ' A' ' 64' ' ' MET . 41.2 tttt -64.95 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 21' ' ' PHE . 30.0 m-85 -71.8 -38.44 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.653 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.52 -46.94 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 2.6 pp20? -62.92 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.46 ' HE3' ' HG2' ' A' ' 60' ' ' LYS . 10.3 ptp -65.98 -38.88 89.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -63.11 -56.14 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 63' ' ' GLU . 14.2 ptt180 -58.07 -56.65 19.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.63 -41.86 32.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.32 -49.8 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -59.8 -40.23 87.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.76 62.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -76.65 -23.56 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.26 -73.0 1.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -104.67 137.09 43.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.32 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -115.84 80.8 9.01 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.68 0.752 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.64 167.81 18.43 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 120.76 7.48 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.9 p -100.51 136.97 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -169.15 155.46 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -69.18 175.51 3.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -88.71 -29.67 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -165.87 143.94 4.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.687 0.756 . . . . 0.0 110.816 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 111.58 2.86 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -111.47 147.33 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -132.81 164.87 25.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -95.36 -45.51 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -84.39 88.92 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -112.82 -91.9 1.98 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 108.88 2.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.3 p -150.77 158.84 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -47.79 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m 62.41 42.16 9.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -148.47 124.98 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.87 52.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -79.19 113.43 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.811 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 p -91.8 115.47 28.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.48 54.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -114.83 143.52 30.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -2.21 9.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -38.7 98.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.2 mmp_? -111.62 -179.78 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' ARG . 33.9 mtpt -35.51 102.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.8 158.63 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -54.83 158.25 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 53.8 mtm-85 -71.08 128.55 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -136.86 175.16 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -38.26 -47.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.64 -45.05 93.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' A' ' 15' ' ' ARG . 53.1 t80 -56.3 -44.65 80.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.2 m-85 -63.35 -41.28 98.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 82.4 t80 -64.13 -57.3 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.771 ' CG1' HG13 ' A' ' 39' ' ' VAL . 92.3 t -55.22 -24.89 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -73.76 -45.36 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 20' ' ' PHE . 1.3 mp0 -74.61 4.34 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mmtm -112.36 -28.92 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.9 mt -36.23 -58.62 0.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.89 -21.61 32.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.1 tt0 -72.24 -32.54 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HD12 ' A' ' 34' ' ' LEU . 85.3 mt -83.5 -38.63 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -47.72 -48.78 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.74 -37.95 82.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -55.07 -40.21 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.99 45.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.554 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 29' ' ' LEU . 84.1 mt -128.76 143.4 48.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.57 0.7 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 85.8 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -130.91 123.81 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.98 -30.18 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 3.6 ptm85 -138.43 173.72 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.771 HG13 ' CG1' ' A' ' 22' ' ' VAL . 82.5 t -57.2 -45.61 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.11 -33.4 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.96 -39.3 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.75 3.8 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.35 19.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.85 -34.57 14.04 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -73.29 2.77 6.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ASP . 7.4 m -127.87 -31.34 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' CYS . 28.8 t -36.64 -37.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -70.85 -47.96 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.2 m-20 -63.41 -34.72 78.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 53' ' ' LEU . 75.6 t-105 -63.34 -41.39 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -8.64 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -91.28 -24.82 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.9 mt -60.92 161.12 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -100.02 157.75 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.84 -43.37 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.98 -45.82 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.578 ' HB3' HD22 ' A' ' 53' ' ' LEU . 13.1 mm-40 -62.24 -54.82 35.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -50.84 -47.13 60.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -60.28 -43.16 96.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.75 -49.3 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.32 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.2 -52.72 64.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -60.12 -33.93 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.41 -52.38 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' N ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.45 -36.21 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -64.13 -48.71 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.75 -42.21 97.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.57 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.36 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -71.82 -23.62 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.57 -63.21 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.05 145.83 29.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -122.19 81.42 44.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -9.2 25.54 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.766 2.311 . . . . 0.0 112.312 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.42 145.68 10.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 95.7 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -125.61 153.91 43.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.01 153.99 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -116.85 84.35 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -142.36 128.15 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -163.49 128.12 1.99 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.721 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.48 54.33 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.88 121.34 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -116.3 175.73 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.0 t -157.32 153.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.0 t -99.03 -48.95 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.7 64.71 0.84 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 86.3 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -85.53 112.33 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -70.53 138.9 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.479 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -107.88 132.17 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -170.8 146.44 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.32 -163.62 17.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -69.1 -54.89 12.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -94.39 151.52 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.794 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.92 162.92 13.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 mtt -66.34 149.61 97.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 106.83 1.73 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.703 2.269 . . . . 0.0 112.288 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 113.08 7.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.23 -52.24 24.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -120.55 36.98 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' SER . . . 37.54 52.6 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . 1.8 m -35.58 -67.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -149.96 125.0 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.6 m120 -139.01 173.35 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' ' N ' ' A' ' 62' ' ' ALA . . . -34.74 -46.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.0 t80 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ASN . 46.0 t80 -55.96 -40.84 73.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -70.64 -33.52 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.55 -54.43 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -61.87 -27.17 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' HG21 ' A' ' 39' ' ' VAL . 5.3 tp-100 -73.8 -39.38 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.74 11.72 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mmtm -123.07 -25.54 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.0 mt -37.05 -58.34 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.8 Cg_endo -69.79 -22.89 31.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.6 2.2 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.0 tp10 -71.15 -40.13 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 36' ' ' VAL . 75.4 mt -75.44 -42.81 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 36' ' ' VAL . 59.3 mtp180 -45.15 -41.24 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -73.0 -42.76 62.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -52.71 -42.79 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.42 45.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 29' ' ' LEU . 87.0 mt -128.85 143.48 48.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -128.97 106.56 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.5 -32.4 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -145.41 175.04 10.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' NE2' ' A' ' 23' ' ' GLN . 59.5 t -51.0 -54.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.22 -34.03 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.9 m-20 -76.19 -39.87 53.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.88 -7.26 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 44' ' ' PRO . 1.8 mt -52.36 -58.67 10.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.739 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.73 -39.34 6.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 29.4 m-85 -68.94 -3.16 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' SER . 51.3 m -116.54 -36.94 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 72.1 p -36.34 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . 26.7 p -73.64 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -42.38 89.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.82 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -52.87 -36.32 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -25.05 67.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.51 -32.3 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.82 HD12 ' CE3' ' A' ' 50' ' ' TRP . 14.4 mt -51.42 158.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLU . 42.0 mtt85 -105.16 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ARG . 36.6 tt0 -36.28 -46.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -55.69 -54.37 45.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 5.8 mt-10 -55.57 -52.83 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -49.11 -48.65 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.8 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -50.57 -51.56 47.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -58.29 -46.99 85.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -60.24 -42.46 95.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.19 -56.05 26.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 9.3 ptp -56.16 -31.46 63.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -68.61 -56.61 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -54.8 -53.89 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.13 -41.36 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -57.22 -56.56 20.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -56.66 -43.49 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.88 -48.3 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.98 60.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -66.04 -26.85 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 55.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -150.63 138.43 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 3.9 t70 -113.9 97.43 44.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.838 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.52 -154.04 16.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -24.12 30.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.0 p -56.22 129.36 39.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -143.78 157.35 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -173.19 124.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -78.13 83.94 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -123.79 83.0 54.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.15 2.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.264 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -154.29 145.45 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -104.96 170.66 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' PHE . 49.8 p 35.97 49.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.2 p -108.17 137.03 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.13 83.54 0.92 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 152.8 69.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -95.84 103.91 15.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 m -94.18 154.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -63.45 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -69.27 90.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.72 72.65 0.2 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -108.16 145.39 34.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -112.16 110.52 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.52 -133.04 2.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.19 145.79 0.37 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.5 Cg_endo -69.86 2.93 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 17.6 t-20 -34.6 117.7 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -42.97 148.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -125.07 100.13 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.7 150.35 35.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -116.68 87.56 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -89.68 120.95 31.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ALA . 18.9 t-20 -126.63 172.8 9.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.07 -48.27 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -56.36 -46.72 79.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 3.5 t80 -59.81 -41.49 91.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 4.6 m-85 -63.07 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -74.34 -40.25 62.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 HG13 ' A' ' 39' ' ' VAL . 55.6 t -68.83 -43.56 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.44 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.6 1.11 17.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -116.44 -24.86 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.765 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -40.56 -57.86 2.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.3 Cg_endo -69.82 -21.31 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -72.41 -31.46 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 36' ' ' VAL . 15.8 mt -82.41 -44.54 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' CG ' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -42.62 -40.6 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -70.08 -40.34 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt-85 -56.8 -42.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 42.33 0.38 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 83.0 mt -125.23 141.79 39.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.643 0.735 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -124.62 105.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.99 -39.19 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -143.61 173.97 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.765 ' N ' HD11 ' A' ' 26' ' ' ILE . 81.0 t -46.23 -53.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.54 -38.27 4.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.9 m-20 -76.26 -37.83 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.34 12.34 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.22 -58.03 6.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.694 0.759 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.7 -39.16 6.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-85 -64.5 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 29' ' ' LEU . 87.5 m -129.53 31.62 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -93.46 -25.64 17.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.4 t -85.03 -33.97 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -44.41 30.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.3 t-105 -58.04 -34.79 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.31 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.52 -33.63 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 57' ' ' GLU . 16.6 mt -52.34 153.77 2.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -96.18 165.57 12.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -50.38 -50.79 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -51.59 -47.77 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.633 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.1 mm-40 -58.99 -56.06 27.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -49.15 -45.56 43.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -60.58 -49.92 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.08 -51.99 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -58.55 -41.76 86.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.428 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -64.49 -41.81 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.78 -55.07 33.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.6 ptp -57.81 -33.49 68.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -66.72 -55.23 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -56.03 -55.45 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -56.35 -41.7 76.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -58.11 -49.07 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.5 -49.53 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.23 -57.48 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.37 -21.31 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.38 46.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ASP . 8.0 tmtt? -123.91 129.25 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' LYS . 1.7 p-10 -33.57 96.67 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 77' ' ' GLY . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.39 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . -34.2 -70.46 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -40.64 5.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -76.81 -174.98 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -110.35 154.2 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -88.73 93.98 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 144.1 25.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -158.84 147.7 14.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -175.04 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.285 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 85' ' ' VAL . 11.2 p -106.4 38.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.81 134.02 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.7 p -122.64 106.96 11.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -125.37 124.72 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.81 83.56 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 2.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.272 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.2 t -68.38 150.42 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 p -123.17 121.6 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.504 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 19' ' ' TYR . 17.9 m120 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.708 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.51 -46.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.62 -42.52 99.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.8 t80 -63.05 -43.24 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.76 -41.46 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.89 -42.32 98.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 39' ' ' VAL . 52.3 t -68.84 -41.03 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -53.85 -41.48 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.93 7.89 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -120.09 -17.24 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.667 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -48.18 -57.8 9.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.551 0.691 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.2 Cg_endo -69.78 -21.89 32.76 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.86 -39.76 69.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.3 mt -75.11 -40.05 60.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.623 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.2 mtp85 -48.55 -45.31 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -67.71 -41.05 84.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -53.36 -39.54 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.38 41.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 36' ' ' VAL . 60.0 mt -127.23 144.19 49.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 0.0 110.972 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 87.92 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.288 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -131.24 105.25 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.18 -41.22 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HE ' ' HB3' ' A' ' 40' ' ' ALA . 32.5 ptt180 -138.35 -178.69 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 26' ' ' ILE . 54.9 t -55.73 -53.32 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.72 -32.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.83 -41.41 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.85 10.24 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.1 mt -66.12 -58.46 10.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.85 -41.56 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -60.67 -10.67 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.37 31.2 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -86.87 -35.49 18.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.89 -32.12 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.6 t0 -69.54 -37.99 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.541 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.6 t-105 -65.01 -37.94 89.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.45 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 55.8 mt -73.07 -31.97 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 57' ' ' GLU . 13.9 mt -54.18 157.51 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -100.3 155.74 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -40.99 -46.92 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.16 -47.8 71.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -62.15 -54.15 45.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -49.82 -46.01 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -63.77 -37.95 89.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -60.55 -50.67 72.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -65.19 -36.76 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.708 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -70.18 -34.14 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.01 -53.15 13.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.4 ptm -60.84 -34.9 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.79 -49.28 54.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -58.52 -50.93 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.13 -34.45 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -63.54 -47.8 80.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -66.76 -40.84 88.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.37 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.22 75.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.9 t-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.04 -45.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.62 -58.76 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -44.17 -43.84 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.57 -40.06 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HG13 ' A' ' 39' ' ' VAL . 49.6 t -72.73 -34.16 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.46 -33.15 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -86.28 6.29 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -120.47 -14.38 8.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.4 mt -50.28 -58.64 9.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 111.168 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.0 Cg_endo -69.87 -22.03 32.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -71.98 -36.32 69.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' SG ' ' A' ' 46' ' ' CYS . 94.6 mt -78.98 -38.77 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -49.04 -45.89 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -61.69 -39.39 91.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -58.93 -41.36 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.25 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -129.09 143.74 49.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 82.8 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.585 2.19 . . . . 0.0 112.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 29' ' ' LEU . 2.3 m -127.76 92.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.86 -36.78 21.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -136.95 -177.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.709 HG13 HG11 ' A' ' 22' ' ' VAL . 22.3 t -61.62 -50.72 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.06 -23.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.71 -37.93 16.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.13 4.55 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -60.81 -58.05 22.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.75 -48.12 0.79 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -54.99 -16.09 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.549 ' SG ' HD11 ' A' ' 29' ' ' LEU . 83.2 m -129.41 31.89 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.9 p -83.56 -46.23 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -72.81 -34.55 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.8 -37.55 84.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.652 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 58.5 t-105 -65.93 -39.64 90.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.27 -14.71 57.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.87 -23.62 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 3.8 mt -54.23 160.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -98.78 149.56 22.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -42.49 -46.79 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -54.85 -46.94 74.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.82 -53.94 51.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 59.2 mttt -50.61 -46.97 58.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.9 -48.48 81.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -53.06 -53.92 43.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -57.01 -40.76 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.51 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.01 -41.6 95.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.19 -55.31 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.2 ptp -58.9 -34.43 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.97 -54.4 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 22.4 mtm105 -56.27 -54.4 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.06 -40.23 73.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.31 -48.77 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -64.05 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.35 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.88 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.16 -37.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.46 -56.56 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -48.91 -45.72 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.8 m-85 -60.13 -42.29 94.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.454 ' CD1' HD11 ' A' ' 53' ' ' LEU . 68.7 t80 -64.11 -46.75 82.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.786 HG11 HG13 ' A' ' 39' ' ' VAL . 94.8 t -60.75 -46.71 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -53.56 -41.54 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.68 9.07 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -119.75 -24.1 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -42.85 -58.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.666 0.745 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.69 -23.63 30.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.75 -39.02 73.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.541 ' HB2' HG21 ' A' ' 36' ' ' VAL . 83.7 mt -78.05 -42.67 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' CG ' HG23 ' A' ' 36' ' ' VAL . 14.2 mtp-105 -46.27 -47.69 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -70.41 -36.05 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -55.77 -44.11 77.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.96 44.12 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.3 mt -132.44 143.86 50.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.397 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -122.92 105.64 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.53 -40.08 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -141.36 175.44 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.786 HG13 HG11 ' A' ' 22' ' ' VAL . 24.8 t -50.9 -43.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.51 -39.28 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.1 m-20 -74.44 -37.96 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.28 -13.14 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.9 mt -47.53 -58.41 7.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 27.3 m-85 -59.97 -12.39 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 86.1 m -108.32 -35.72 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' CYS . 51.7 p -36.05 -34.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' CYS . 37.0 m -72.88 -53.02 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.611 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.1 t70 -59.79 -47.64 84.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.538 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.4 t-105 -52.82 -38.41 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.75 -19.23 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 49' ' ' ASP . 33.1 mt -80.5 -29.8 37.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.5 mt -53.4 158.04 1.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -97.77 155.9 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -45.14 -43.86 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.29 -48.67 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 53' ' ' LEU . 28.5 mm-40 -58.96 -53.92 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -53.31 -46.11 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.29 -41.49 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -61.87 -49.1 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.88 -36.82 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -69.89 -37.7 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.42 -34.74 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.72 -54.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -57.51 -56.82 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.52 -35.04 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 72' ' ' GLN . 70.9 t90 -65.07 -51.53 60.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -58.58 -38.68 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.52 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.13 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 63.3 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.341 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.46 -44.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -58.11 -51.0 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -52.95 -48.59 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.0 m-85 -59.26 -38.67 80.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -64.9 -50.52 66.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 39' ' ' VAL . 95.4 t -61.9 -33.1 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 39' ' ' VAL . 7.2 tp-100 -63.99 -41.09 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.17 10.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -120.16 -25.69 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.571 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.2 mt -38.94 -58.71 1.63 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.9 Cg_endo -69.71 -22.62 32.08 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.658 2.239 . . . . 0.0 112.411 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.06 -41.86 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 54.1 mt -74.4 -37.99 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 36' ' ' VAL . 6.1 mtp-105 -50.23 -40.22 46.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -74.0 -37.56 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -56.59 -44.27 80.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.43 47.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 36' ' ' VAL . 84.5 mt -129.68 143.53 49.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 30' ' ' ARG . 1.7 m -122.69 111.19 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.57 -35.44 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -140.4 174.29 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.571 ' N ' HD11 ' A' ' 26' ' ' ILE . 77.0 t -51.96 -49.11 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.93 -35.92 25.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.8 m-20 -73.36 -34.67 65.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.94 -9.65 55.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 mt -47.2 -57.84 8.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.79 -34.83 13.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 17.2 m-85 -79.21 11.41 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' SER . 35.0 m -128.15 -41.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' CYS . 35.0 t -35.14 -44.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -57.88 -57.74 11.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 -38.91 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' HD12 ' A' ' 53' ' ' LEU . 73.7 t-105 -57.94 -40.88 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.13 -34.01 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 57' ' ' GLU . 15.1 mt -55.25 155.91 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.29 167.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -51.65 -46.36 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -50.24 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.795 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 53' ' ' LEU . 24.3 mm-40 -58.37 -54.79 43.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -50.29 -47.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.5 -46.12 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -55.65 -51.73 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.14 -42.52 86.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -65.28 -42.4 93.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.81 -54.07 50.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.0 ptp -60.24 -32.45 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.62 -53.11 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -59.18 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.97 -42.29 84.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.408 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 55.2 t90 -61.79 -46.67 88.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -60.28 -39.49 87.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.57 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.13 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ALA . 6.0 t-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.675 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.7 -44.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.69 -53.01 62.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -51.89 -49.62 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.99 -33.77 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.46 -45.46 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.68 -32.48 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -63.96 -34.28 77.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.39 5.91 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -117.46 -21.47 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.586 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -42.02 -58.06 3.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.71 -22.68 31.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.91 -37.94 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 34' ' ' LEU . 83.7 mt -78.98 -37.48 39.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' HG3' HG23 ' A' ' 36' ' ' VAL . 20.2 mtt-85 -52.2 -36.1 51.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -82.07 -28.69 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -63.88 -39.02 93.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.37 44.61 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -131.07 142.31 45.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -135.41 121.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.54 -20.96 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -163.08 174.13 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.586 ' N ' HD11 ' A' ' 26' ' ' ILE . 21.3 t -45.53 -53.7 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.95 -39.27 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t0 -74.01 -40.55 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.58 5.87 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.59 18.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.75 -40.03 5.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.24 -7.49 9.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 33.1 m -113.51 -31.25 6.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 4.8 t -36.83 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 67.5 m -76.0 -53.43 8.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.784 ' HA ' HD12 ' A' ' 52' ' ' LEU . 6.2 t70 -62.97 -41.81 99.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.3 t-105 -59.71 -36.19 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.01 -18.84 65.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 49' ' ' ASP . 18.9 mt -80.25 -30.25 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.8 mt -53.56 158.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -102.62 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -48.05 -47.82 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -53.42 -52.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.601 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.4 mm-40 -55.05 -57.0 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.64 -46.49 28.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -59.44 -51.21 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.66 -51.61 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.437 ' CD1' ' HE3' ' A' ' 64' ' ' MET . 26.0 m-85 -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.675 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 3.3 tp10 -62.79 -55.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.5 ptp -58.94 -32.78 69.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.35 -44.26 79.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -67.16 -36.82 82.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 12.7 mt-10 -67.62 -43.37 80.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -65.56 -46.65 78.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -60.24 -45.1 94.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.68 -51.9 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.66 75.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ALA . 13.7 m120 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.95 0.405 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.17 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -61.5 -51.36 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.76 -45.79 67.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.9 m-85 -61.33 -38.75 88.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -70.73 -41.91 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.817 HG11 HG13 ' A' ' 39' ' ' VAL . 44.5 t -69.4 -37.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -62.76 -35.66 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.77 1.23 39.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -112.02 -16.29 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -51.12 -57.85 12.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.7 Cg_endo -69.79 -23.88 30.15 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.27 -37.73 74.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.74 -41.06 46.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -46.15 -42.87 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 15.5 mtp-105 -73.14 -34.46 66.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -57.67 -44.06 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 42.98 0.35 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.7 mt -127.12 144.09 49.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.13 129.2 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.01 -32.29 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.84 -178.87 6.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.817 HG13 HG11 ' A' ' 22' ' ' VAL . 68.4 t -50.85 -54.96 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.85 -29.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 75.9 m-20 -86.71 -40.23 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.0 2.81 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -62.76 -58.72 15.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.9 Cg_endo -69.85 -43.51 2.54 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 25.9 m-85 -61.93 -8.6 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' SER . 94.3 m -117.05 -29.43 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 p -38.62 -31.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' CYS . 35.9 p -75.85 -53.27 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.47 -44.45 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.4 t-105 -57.0 -36.33 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.23 -12.82 62.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.49 -22.24 23.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 8.0 mt -58.95 158.71 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.59 162.7 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.18 -50.04 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -54.51 -44.43 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.3 mm-40 -60.13 -56.62 19.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -51.93 -40.06 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.7 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.95 -42.93 84.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -68.35 -32.81 73.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.415 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.52 -49.12 76.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 24.0 ptm -60.1 -45.41 93.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -59.85 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -57.08 -48.86 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -57.56 -38.69 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -64.6 -46.89 80.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -63.1 -45.66 91.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.98 96.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.31 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.733 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -33.29 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -65.19 -53.58 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CE1' HG21 ' A' ' 39' ' ' VAL . 59.1 t80 -50.87 -46.96 60.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.5 m-85 -56.4 -44.0 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.27 -48.04 77.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 39' ' ' VAL . 90.5 t -62.8 -38.36 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -60.36 -41.68 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.86 8.15 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -120.08 -23.12 6.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -41.35 -58.46 2.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 111.153 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.5 Cg_endo -69.7 -21.17 34.16 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.764 2.31 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.27 -36.63 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.31 -40.43 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.795 ' HG3' HG23 ' A' ' 36' ' ' VAL . 55.3 mtp85 -48.77 -41.17 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -71.05 -42.54 69.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -52.44 -40.48 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.67 45.6 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 36' ' ' VAL . 90.6 mt -129.01 143.44 48.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 85.1 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -126.06 108.98 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.61 -40.07 8.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -139.59 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 19' ' ' TYR . 65.3 t -48.75 -51.81 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.4 -37.3 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -77.74 -39.03 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.58 5.85 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -66.17 -58.19 11.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.75 -44.97 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 30.4 m-85 -57.63 -12.66 3.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 75.9 m -110.34 -30.04 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.2 p -34.93 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.3 t -72.01 -55.99 6.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -57.43 -47.1 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.8 t-105 -58.61 -36.34 73.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.03 -8.9 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.68 -23.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 5.8 mt -56.81 156.74 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -94.7 156.11 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -46.6 -44.99 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.07 -47.17 81.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.542 ' CB ' HD22 ' A' ' 53' ' ' LEU . 32.9 mm-40 -59.2 -55.34 36.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -52.16 -45.95 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.15 -41.65 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -61.24 -49.48 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -59.63 -37.35 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.733 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -68.54 -40.09 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.46 -49.38 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 ptm -65.39 -28.99 69.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -70.71 -60.14 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -56.94 -56.56 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 7.3 pt-20 -53.4 -43.89 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 65.2 t90 -57.98 -49.64 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -42.52 88.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.86 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.79 -36.59 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 m-80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.54 -35.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -69.93 -48.09 59.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ASN . 21.4 t80 -58.26 -41.72 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.6 m-85 -61.79 -40.45 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 53' ' ' LEU . 80.1 t80 -66.91 -48.28 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 39' ' ' VAL . 31.7 t -62.29 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -44.97 78.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.98 8.89 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -119.68 -18.57 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -46.07 -57.74 7.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -25.77 28.11 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.08 -24.89 63.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.709 ' HB2' HG21 ' A' ' 36' ' ' VAL . 14.3 mt -91.14 -43.38 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.791 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.8 mtt180 -49.98 -33.18 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -75.74 -36.35 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -60.71 -40.33 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.59 39.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 36' ' ' VAL . 49.8 mt -124.18 142.84 41.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.83 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -125.91 107.26 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.96 -31.51 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -137.04 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 22' ' ' VAL . 97.3 t -56.11 -53.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.12 -30.86 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.24 -39.39 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.48 6.17 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.2 mt -61.63 -58.62 17.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.72 -40.07 5.82 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.743 2.295 . . . . 0.0 112.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.88 -6.75 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 m -120.75 -19.31 7.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -46.13 -23.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.7 p -86.4 -41.54 14.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' HD12 ' A' ' 52' ' ' LEU . 54.9 m-20 -67.96 -41.77 81.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 53' ' ' LEU . 65.2 t-105 -61.55 -36.11 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.46 66.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 49' ' ' ASP . 49.6 mt -79.82 -32.37 40.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 57' ' ' GLU . 11.5 mt -49.57 149.45 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -91.79 159.13 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -46.15 -49.31 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.54 -46.63 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.2 mm-40 -58.99 -56.2 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 58.9 mttt -48.99 -47.99 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.69 -50.67 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.83 -52.87 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -56.5 -42.51 78.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.76 -41.35 92.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -60.03 -50.53 73.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 8.0 ptp -63.69 -33.61 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.35 -58.71 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.34 -57.56 12.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -52.05 -31.83 31.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -69.84 -52.03 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.28 -43.58 92.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.18 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.63 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.3 t-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -37.52 -46.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -58.49 -51.79 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -53.61 -43.94 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.4 m-85 -64.87 -32.78 74.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.26 -41.97 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.31 -36.91 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.14 -42.5 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -78.38 0.55 25.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -110.31 -21.63 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -40.91 -58.65 2.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.82 -25.2 28.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -69.35 -41.34 76.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 25.8 mt -73.88 -39.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.761 ' HG3' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp180 -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -64.11 -39.07 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -58.79 -41.64 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 29.23 1.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.556 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.5 mt -108.77 144.05 28.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -128.01 113.27 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.53 -37.61 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -139.42 -175.66 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.44 -52.23 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.92 -32.73 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 5.3 m-20 -76.18 -42.06 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.27 24.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.2 mt -65.81 -58.76 10.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.69 -45.58 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.3 m-85 -56.59 -13.04 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' SER . 39.0 m -110.62 -30.58 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 49.2 p -35.7 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.6 m -77.23 -52.33 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.71 -44.45 93.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -54.4 -36.47 63.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -17.9 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.99 -28.93 39.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 57' ' ' GLU . 17.2 mt -58.3 159.68 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -107.57 164.39 12.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.8 -47.38 10.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -54.12 -52.54 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -56.49 -55.36 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -50.2 -45.04 53.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.12 -49.47 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -53.99 -51.69 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -57.13 -41.81 79.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.19 -39.26 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.49 -52.05 65.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.9 ptm -63.14 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -67.76 -58.28 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -59.26 -56.87 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.1 -39.25 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -64.31 -51.91 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.12 -46.34 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.85 53.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.57 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ALA . 27.6 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -35.3 -44.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -56.32 -54.44 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -49.79 -50.99 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.02 -39.34 78.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.49 -51.85 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 63.0 t -60.45 -42.91 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -53.69 -41.9 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.75 12.57 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -123.39 -22.96 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -41.15 -58.72 2.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.4 Cg_endo -69.75 -22.58 31.91 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.26 . . . . 0.0 112.332 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -72.42 -39.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 36' ' ' VAL . 87.6 mt -79.37 -42.41 25.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 36' ' ' VAL . 34.4 mtp180 -46.71 -45.57 19.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.59 -37.84 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -53.19 -43.91 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.87 42.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 36' ' ' VAL . 85.2 mt -130.07 143.33 48.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 84.47 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 30' ' ' ARG . 2.0 m -126.36 108.63 19.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.87 -34.25 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -143.26 171.29 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 22' ' ' VAL . 71.9 t -48.49 -49.13 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -46.84 -38.42 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 4.9 m-20 -73.84 -36.75 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -82.57 -14.23 55.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 mt -46.58 -58.12 7.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.75 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.6 Cg_endo -69.76 -36.38 10.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 21.0 m-85 -75.88 6.03 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 5.2 m -117.73 -40.33 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' CYS . 84.2 p -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' CYS . 20.9 m -63.75 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.521 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.54 -39.72 81.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 53' ' ' LEU . 76.1 t-105 -58.67 -43.05 89.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.57 -22.8 64.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 49' ' ' ASP . 42.4 mt -78.45 -32.34 48.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.1 mt -52.25 151.91 3.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -93.7 162.66 13.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.61 -48.32 49.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.05 -46.31 75.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.644 ' HB3' HD22 ' A' ' 53' ' ' LEU . 60.0 mm-40 -59.18 -54.58 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -50.4 -47.79 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.88 -46.74 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -55.02 -52.27 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.83 -42.89 85.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.82 -42.18 95.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -60.2 -54.87 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 2.5 ptp -58.82 -33.7 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.26 -48.19 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -61.4 -47.73 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.18 -41.24 92.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.488 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 47.6 t90 -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 19.6 mmm-85 -62.35 -40.08 95.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.88 -48.95 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.63 86.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 80.8 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.2 -47.09 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -56.31 -53.31 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.62 -48.44 69.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -56.96 -39.84 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 t80 -69.45 -54.83 12.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' CG1' HG13 ' A' ' 39' ' ' VAL . 53.7 t -57.16 -37.09 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.33 -35.39 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -82.44 7.31 14.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 21' ' ' PHE . 60.9 mmtt -117.7 -22.15 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -38.86 -58.62 1.63 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -22.88 31.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.77 -29.67 64.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB2' HG21 ' A' ' 36' ' ' VAL . 20.3 mt -84.03 -43.74 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 36' ' ' VAL . 53.4 mtp180 -44.28 -39.48 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -75.65 -30.56 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.7 mtt180 -63.42 -42.81 98.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.28 43.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 36' ' ' VAL . 26.4 mt -130.2 142.8 46.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -121.65 114.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.57 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 4.3 ptp180 -144.87 -178.38 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' CG1' ' A' ' 22' ' ' VAL . 78.4 t -55.23 -56.07 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.93 -30.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.79 -44.15 19.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.33 5.86 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.5 mt -63.99 -58.13 15.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.9 Cg_endo -69.73 -42.39 3.47 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.71 -10.65 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' SER . 6.1 m -111.76 -26.5 8.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' CYS . 8.3 t -38.09 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' CYS . 69.4 m -78.36 -52.28 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.19 -46.99 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.629 ' HA ' HD12 ' A' ' 53' ' ' LEU . 72.0 t-105 -55.52 -33.82 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.18 -20.91 62.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.21 -22.11 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 57' ' ' GLU . 9.5 mt -62.73 163.76 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -109.12 163.36 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -45.93 -45.03 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -55.45 -49.82 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.679 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.6 mm-40 -58.73 -53.77 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -52.66 -45.56 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.96 -41.07 97.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -59.5 -50.53 73.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -61.57 -37.8 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.62 81.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.3 -53.99 24.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 ptm -62.0 -32.03 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.79 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -58.07 -55.44 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.83 -37.77 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -62.99 -52.13 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -56.79 -44.95 82.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.18 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.73 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.5 t-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -36.05 -48.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -58.37 -53.0 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -48.18 -50.05 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.26 -42.37 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.39 -53.43 57.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.09 -35.27 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tt0 -60.1 -39.21 85.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -82.64 5.19 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.79 -18.93 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 23' ' ' GLN . 2.6 mt -46.69 -57.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.581 0.705 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.1 Cg_endo -69.75 -23.75 30.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.412 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.48 -40.18 70.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 36' ' ' VAL . 44.0 mt -75.68 -35.24 60.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.644 ' CG ' HG23 ' A' ' 36' ' ' VAL . 62.8 mtp180 -57.28 -36.86 71.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -79.99 -29.83 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' VAL . 44.6 mt -131.85 143.89 50.97 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.23 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -125.06 122.57 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.44 -28.77 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -165.09 173.96 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' N ' HD11 ' A' ' 26' ' ' ILE . 24.8 t -38.49 -62.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -36.87 -40.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.24 -42.35 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . -81.96 1.66 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -59.75 -58.75 17.14 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.663 0.744 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.8 Cg_endo -69.83 -37.51 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.286 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -70.04 -0.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' SER . 24.4 m -118.65 -33.77 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.0 p -37.56 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' CYS . 52.8 p -73.62 -53.96 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.14 -42.48 99.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CE3' HD12 ' A' ' 53' ' ' LEU . 74.8 t-105 -57.78 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.17 -14.39 62.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.81 -23.88 25.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD12 ' CE3' ' A' ' 50' ' ' TRP . 18.3 mt -61.1 159.25 12.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -106.75 162.96 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -46.49 -47.83 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.31 -51.94 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.626 ' CB ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -56.49 -54.49 45.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -49.79 -46.83 51.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.63 -52.77 64.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -50.47 -54.87 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -54.81 -41.28 70.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.15 -41.32 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.34 -49.99 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.5 ptp -64.73 -32.05 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.72 -57.31 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 4.5 ptp180 -58.89 -55.67 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -52.03 -42.33 62.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.3 -51.16 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -57.83 -41.39 82.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.03 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.38 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' TYR . 21.1 m120 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.68 -49.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -54.05 -45.65 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -62.28 -43.95 97.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -64.31 -27.54 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 53' ' ' LEU . 73.1 t80 -80.17 -36.95 34.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.81 HG11 HG13 ' A' ' 39' ' ' VAL . 20.2 t -73.35 -41.46 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -39.15 82.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.09 9.47 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -121.7 -24.07 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -43.31 -57.86 4.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.729 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.277 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.13 -33.67 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 HD12 ' A' ' 34' ' ' LEU . 51.2 mt -81.2 -47.56 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.666 ' HG3' HG23 ' A' ' 36' ' ' VAL . 16.8 mtp85 -39.81 -43.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -69.81 -40.5 75.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -55.69 -41.01 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.12 42.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 29' ' ' LEU . 91.0 mt -125.84 144.14 47.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.545 0.688 . . . . 0.0 110.986 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 88.21 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.571 2.181 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -128.45 106.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.87 -42.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -139.57 -178.07 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 22' ' ' VAL . 54.8 t -55.49 -50.56 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.22 -28.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -42.92 15.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.04 7.61 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.5 mt -67.37 -58.66 8.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.2 Cg_endo -69.7 -42.38 3.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.91 -11.38 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.88 17.98 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 97.0 p -70.04 -44.98 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -73.86 -40.73 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.27 -36.84 73.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CE3' HD12 ' A' ' 53' ' ' LEU . 66.3 t-105 -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.93 -11.81 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 80.5 mt -85.98 -22.3 27.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.4 mt -60.93 158.16 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -92.44 155.9 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -46.84 -47.02 21.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.8 -45.48 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.597 ' HB3' HD22 ' A' ' 53' ' ' LEU . 23.6 mm-40 -59.69 -55.15 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -50.65 -47.06 58.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.61 -48.21 81.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.35 -52.16 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -57.29 -42.06 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.528 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.31 -44.6 87.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.73 -50.78 72.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -61.64 -33.92 74.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.59 -59.55 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 3.6 ptm180 -60.13 -56.9 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.08 -34.79 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -68.55 -52.91 26.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 66' ' ' ARG . 25.8 mtm105 -60.56 -41.45 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.06 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.6 m120 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.34 -49.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.06 -48.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 5.7 t80 -55.84 -46.19 78.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.82 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -64.66 -47.87 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.86 -42.21 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.57 8.63 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -121.11 -19.49 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -46.6 -58.66 6.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.78 -22.51 31.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.41 -36.88 68.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD11 ' SG ' ' A' ' 46' ' ' CYS . 19.5 mt -79.2 -47.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 36' ' ' VAL . 23.8 mtp85 -39.05 -45.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -68.35 -40.94 81.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 10.5 mtp-105 -52.63 -45.6 66.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.83 40.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 36' ' ' VAL . 82.2 mt -122.93 143.84 41.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 89.47 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -135.13 114.49 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.111 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.89 -30.01 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -146.99 -178.43 6.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.416 ' N ' HD11 ' A' ' 26' ' ' ILE . 31.7 t -58.01 -53.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.59 -40.5 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.15 7.65 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -63.38 -58.21 16.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.723 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.7 Cg_endo -69.68 -41.33 4.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -61.46 -8.98 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 29' ' ' LEU . 97.4 m -130.56 26.67 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 t -83.12 -40.3 19.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 m -77.62 -37.75 49.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.2 m-20 -64.02 -38.52 91.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE3' HD12 ' A' ' 53' ' ' LEU . 64.8 t-105 -64.85 -34.81 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.29 -13.85 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ASP . 79.2 mt -82.4 -31.89 29.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 10.1 mt -50.83 159.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.0 mtm180 -102.81 149.1 24.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ARG . 9.6 tp10 -35.36 -52.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.81 -50.62 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 52.5 mm-40 -60.03 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -52.58 -44.27 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.65 -42.15 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -60.28 -48.62 80.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.01 -37.22 84.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.781 ' HB1' ' NH2' ' A' ' 66' ' ' ARG . . . -71.5 -43.08 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.48 -50.33 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.53 -34.04 77.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.31 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.781 ' NH2' ' HB1' ' A' ' 62' ' ' ALA . 10.6 ptp180 -59.76 -57.67 11.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -49.97 -35.69 25.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -67.86 -53.09 29.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -57.42 -39.53 76.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.71 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -31.9 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.0 t-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.73 -49.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -56.6 -53.28 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 8.9 t80 -49.21 -44.47 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.34 -38.81 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -63.54 -43.94 95.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.47 -25.88 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -78.05 -26.88 48.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -92.65 3.83 54.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 mmtp -117.19 -23.5 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -38.14 -57.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.1 Cg_endo -69.85 -21.52 32.95 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' LYS . 11.3 tt0 -72.38 -41.52 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.9 mt -74.73 -39.46 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HG3' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -48.79 -40.77 30.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -77.55 -28.43 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.42 -42.82 98.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.21 38.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.8 mt -127.03 144.03 48.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -124.09 104.39 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.64 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -142.8 176.89 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' CG2' HD11 ' A' ' 26' ' ' ILE . 28.9 t -55.04 -49.67 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.22 -30.32 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.19 -42.6 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -10.09 59.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -47.15 -58.19 7.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.87 -43.16 2.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.613 2.208 . . . . 0.0 112.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -66.87 -6.05 14.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -118.37 -8.14 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 -58.23 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 p -55.34 -27.6 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.9 m-20 -82.44 -33.45 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.2 t-105 -65.86 -32.29 73.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.36 -14.05 62.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 49' ' ' ASP . 29.5 mt -85.29 -26.07 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.1 mt -57.42 157.04 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -100.33 161.77 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -47.86 -45.18 29.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.77 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CB ' HD22 ' A' ' 53' ' ' LEU . 1.3 mm-40 -56.38 -54.5 44.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -49.37 -47.92 47.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.53 -47.88 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -53.73 -54.61 35.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -56.17 -41.06 74.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -66.64 -39.46 88.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.5 -49.67 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 68' ' ' TRP . 11.1 ptp -65.55 -28.96 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.04 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -57.28 -56.34 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 8.1 pt-20 -53.46 -43.59 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 60.3 t90 -60.46 -47.45 86.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -62.18 -41.05 97.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.52 87.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.46 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.9 t-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 50' ' ' TRP . . . -35.14 -37.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -62.93 -46.06 89.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 t80 -66.93 -42.75 84.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -65.66 -40.51 92.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.12 -40.55 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.714 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 53.7 t -68.7 -38.97 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.23 -46.56 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.91 6.94 6.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -120.1 -23.76 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 mt -45.53 -57.81 7.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.711 0.767 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.78 -22.96 31.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -70.3 -32.71 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 26.9 mt -79.97 -46.66 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -42.3 -29.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -79.21 -34.89 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 30.7 mtp180 -65.04 -40.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.45 43.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -124.14 139.64 33.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.53 0.681 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.236 . . . . 0.0 112.325 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 29' ' ' LEU . 4.5 m -136.75 119.47 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.4 -37.89 6.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -137.83 -177.07 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG13 HG11 ' A' ' 22' ' ' VAL . 88.3 t -58.64 -47.31 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.01 -25.06 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.24 -39.65 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.714 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -86.97 10.88 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -68.52 -57.79 8.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.28 . . . . 0.0 112.293 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.33 -8.85 9.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' ASP . 3.9 p -121.72 -20.79 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' CYS . 18.8 t -35.97 -34.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 86.8 p -86.68 -40.78 14.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' LEU . 10.7 t0 -60.07 -43.24 95.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.1 t-105 -57.48 -39.76 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.65 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' ASP . 89.1 mt -78.24 -27.33 47.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' CE3' ' A' ' 50' ' ' TRP . 12.0 mt -57.73 160.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -101.63 153.39 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -40.78 -47.44 2.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.3 mp0 -53.92 -50.29 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.539 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.9 mm-40 -59.16 -52.67 64.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -51.49 -47.42 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.81 -53.32 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -49.53 -55.18 14.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -55.71 -42.79 75.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.28 90.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.97 -49.87 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 10.1 ptp -63.51 -35.22 79.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.08 -60.24 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -55.37 -57.81 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.26 -35.58 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -66.61 -48.62 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.5 mtp-105 -61.04 -38.53 86.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.68 82.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.26 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.653 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -44.61 -35.7 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.43 -41.63 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -45.49 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.7 m-85 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' HA ' ' CE1' ' A' ' 61' ' ' TYR . 37.9 t80 -59.05 -39.97 83.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 42' ' ' ALA . 54.8 t -75.81 -39.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.599 ' NE2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -53.86 -48.43 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -78.91 9.61 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -121.86 -23.72 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.8 mt -43.36 -57.92 4.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -20.51 34.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.625 2.216 . . . . 0.0 112.365 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.38 -39.21 68.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 34' ' ' LEU . 77.2 mt -74.44 -42.86 58.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HG3' HG23 ' A' ' 36' ' ' VAL . 3.5 mtp-105 -46.75 -35.13 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -75.47 -41.04 56.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -55.41 -41.71 73.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.68 45.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 29' ' ' LEU . 95.3 mt -126.75 141.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.688 0.756 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 80.05 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -123.4 117.67 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.87 -35.17 9.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -150.43 -176.73 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.599 ' CG2' ' NE2' ' A' ' 23' ' ' GLN . 55.1 t -53.62 -51.14 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 -40.72 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -86.03 11.63 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.44 -57.85 6.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.79 -11.43 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 p -117.28 -24.84 7.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' CYS . 16.5 t -36.27 -32.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . 89.6 p -85.5 -42.52 14.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.7 t70 -62.5 -47.96 81.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.51 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.0 t-105 -53.51 -36.38 61.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.27 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.2 -27.97 38.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.7 mt -54.59 165.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -104.68 164.13 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.41 -47.31 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.09 -50.12 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.3 mm-40 -59.44 -55.41 35.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -52.47 -34.65 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.76 -40.28 76.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HG2' ' HE3' ' A' ' 64' ' ' MET . 41.2 tttt -64.95 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 21' ' ' PHE . 30.0 m-85 -71.8 -38.44 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.653 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.52 -46.94 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 2.6 pp20? -62.92 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.46 ' HE3' ' HG2' ' A' ' 60' ' ' LYS . 10.3 ptp -65.98 -38.88 89.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -63.11 -56.14 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 63' ' ' GLU . 14.2 ptt180 -58.07 -56.65 19.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.63 -41.86 32.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.32 -49.8 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -59.8 -40.23 87.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.76 62.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.485 ' ND2' ' NH2' ' A' ' 66' ' ' ARG . 30.3 m120 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -38.26 -47.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.64 -45.05 93.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -56.3 -44.65 80.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.2 m-85 -63.35 -41.28 98.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 82.4 t80 -64.13 -57.3 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.771 ' CG1' HG13 ' A' ' 39' ' ' VAL . 92.3 t -55.22 -24.89 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' NE2' HG21 ' A' ' 39' ' ' VAL . 8.0 tp-100 -73.76 -45.36 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 20' ' ' PHE . 1.3 mp0 -74.61 4.34 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mmtm -112.36 -28.92 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.9 mt -36.23 -58.62 0.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.89 -21.61 32.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.1 tt0 -72.24 -32.54 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HD12 ' A' ' 34' ' ' LEU . 85.3 mt -83.5 -38.63 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -47.72 -48.78 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.74 -37.95 82.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -55.07 -40.21 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.99 45.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.554 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 29' ' ' LEU . 84.1 mt -128.76 143.4 48.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.57 0.7 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 85.8 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -130.91 123.81 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.98 -30.18 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 3.6 ptm85 -138.43 173.72 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.771 HG13 ' CG1' ' A' ' 22' ' ' VAL . 82.5 t -57.2 -45.61 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.11 -33.4 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.96 -39.3 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.75 3.8 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.35 19.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.85 -34.57 14.04 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -73.29 2.77 6.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ASP . 7.4 m -127.87 -31.34 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' CYS . 28.8 t -36.64 -37.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -70.85 -47.96 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.2 m-20 -63.41 -34.72 78.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 53' ' ' LEU . 75.6 t-105 -63.34 -41.39 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -8.64 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -91.28 -24.82 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.9 mt -60.92 161.12 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -100.02 157.75 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.84 -43.37 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.98 -45.82 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.578 ' HB3' HD22 ' A' ' 53' ' ' LEU . 13.1 mm-40 -62.24 -54.82 35.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -50.84 -47.13 60.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -60.28 -43.16 96.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.75 -49.3 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.32 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.2 -52.72 64.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -60.12 -33.93 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.41 -52.38 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' NH2' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.45 -36.21 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -64.13 -48.71 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.75 -42.21 97.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.57 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.36 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.6 m120 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' ' N ' ' A' ' 62' ' ' ALA . . . -34.74 -46.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.0 t80 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ASN . 46.0 t80 -55.96 -40.84 73.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -70.64 -33.52 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.55 -54.43 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -61.87 -27.17 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' HG21 ' A' ' 39' ' ' VAL . 5.3 tp-100 -73.8 -39.38 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.74 11.72 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mmtm -123.07 -25.54 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.0 mt -37.05 -58.34 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.8 Cg_endo -69.79 -22.89 31.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.6 2.2 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.0 tp10 -71.15 -40.13 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 36' ' ' VAL . 75.4 mt -75.44 -42.81 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 36' ' ' VAL . 59.3 mtp180 -45.15 -41.24 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -73.0 -42.76 62.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -52.71 -42.79 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.42 45.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 29' ' ' LEU . 87.0 mt -128.85 143.48 48.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -128.97 106.56 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.5 -32.4 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -145.41 175.04 10.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' NE2' ' A' ' 23' ' ' GLN . 59.5 t -51.0 -54.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.22 -34.03 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.9 m-20 -76.19 -39.87 53.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.88 -7.26 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 44' ' ' PRO . 1.8 mt -52.36 -58.67 10.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.739 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.534 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.73 -39.34 6.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 29.4 m-85 -68.94 -3.16 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' SER . 51.3 m -116.54 -36.94 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 72.1 p -36.34 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . 26.7 p -73.64 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -42.38 89.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.82 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -52.87 -36.32 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -25.05 67.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.51 -32.3 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.82 HD12 ' CE3' ' A' ' 50' ' ' TRP . 14.4 mt -51.42 158.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLU . 42.0 mtt85 -105.16 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ARG . 36.6 tt0 -36.28 -46.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -55.69 -54.37 45.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 5.8 mt-10 -55.57 -52.83 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -49.11 -48.65 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.8 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -50.57 -51.56 47.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -58.29 -46.99 85.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -60.24 -42.46 95.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.19 -56.05 26.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 9.3 ptp -56.16 -31.46 63.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -68.61 -56.61 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -54.8 -53.89 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.13 -41.36 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -57.22 -56.56 20.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -56.66 -43.49 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.88 -48.3 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.98 60.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ALA . 18.9 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.935 0.397 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.07 -48.27 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -56.36 -46.72 79.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 3.5 t80 -59.81 -41.49 91.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 4.6 m-85 -63.07 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -74.34 -40.25 62.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 HG13 ' A' ' 39' ' ' VAL . 55.6 t -68.83 -43.56 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.44 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.6 1.11 17.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -116.44 -24.86 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.765 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -40.56 -57.86 2.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.3 Cg_endo -69.82 -21.31 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -72.41 -31.46 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 36' ' ' VAL . 15.8 mt -82.41 -44.54 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' CG ' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -42.62 -40.6 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -70.08 -40.34 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt-85 -56.8 -42.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 42.33 0.38 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 83.0 mt -125.23 141.79 39.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.643 0.735 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -124.62 105.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.99 -39.19 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -143.61 173.97 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.765 ' N ' HD11 ' A' ' 26' ' ' ILE . 81.0 t -46.23 -53.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.54 -38.27 4.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.9 m-20 -76.26 -37.83 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.34 12.34 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.22 -58.03 6.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.694 0.759 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.7 -39.16 6.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-85 -64.5 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 29' ' ' LEU . 87.5 m -129.53 31.62 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -93.46 -25.64 17.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.4 t -85.03 -33.97 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -44.41 30.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.3 t-105 -58.04 -34.79 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.31 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.52 -33.63 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 57' ' ' GLU . 16.6 mt -52.34 153.77 2.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -96.18 165.57 12.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -50.38 -50.79 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -51.59 -47.77 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.633 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.1 mm-40 -58.99 -56.06 27.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -49.15 -45.56 43.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -60.58 -49.92 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.08 -51.99 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -58.55 -41.76 86.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.428 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -64.49 -41.81 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.78 -55.07 33.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.6 ptp -57.81 -33.49 68.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -66.72 -55.23 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -56.03 -55.45 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -56.35 -41.7 76.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -58.11 -49.07 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.5 -49.53 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.23 -57.48 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -78.05 85.66 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -159.08 128.87 5.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -170.22 1.04 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -100.85 140.8 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -156.31 164.65 38.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.49 127.49 4.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 mtm -132.17 144.26 52.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 120.12 6.96 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -163.27 112.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -82.75 94.14 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -88.18 140.14 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.31 66.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' A' ' 69' ' ' ARG . 61.6 m -72.31 145.82 47.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 9.3 mpt_? -74.56 110.41 8.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 19' ' ' TYR . 17.9 m120 -107.33 168.89 8.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.708 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.51 -46.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.62 -42.52 99.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 15' ' ' ARG . 2.8 t80 -63.05 -43.24 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.76 -41.46 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.89 -42.32 98.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 39' ' ' VAL . 52.3 t -68.84 -41.03 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -53.85 -41.48 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.93 7.89 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -120.09 -17.24 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.667 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -48.18 -57.8 9.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.551 0.691 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.2 Cg_endo -69.78 -21.89 32.76 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.86 -39.76 69.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.3 mt -75.11 -40.05 60.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.623 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.2 mtp85 -48.55 -45.31 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -67.71 -41.05 84.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -53.36 -39.54 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.38 41.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 36' ' ' VAL . 60.0 mt -127.23 144.19 49.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 0.0 110.972 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 87.92 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.288 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -131.24 105.25 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.18 -41.22 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HE ' ' HB3' ' A' ' 40' ' ' ALA . 32.5 ptt180 -138.35 -178.69 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 26' ' ' ILE . 54.9 t -55.73 -53.32 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.72 -32.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.83 -41.41 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.85 10.24 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.1 mt -66.12 -58.46 10.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.85 -41.56 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -60.67 -10.67 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.37 31.2 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -86.87 -35.49 18.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.89 -32.12 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.6 t0 -69.54 -37.99 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.541 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.6 t-105 -65.01 -37.94 89.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.45 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 55.8 mt -73.07 -31.97 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 57' ' ' GLU . 13.9 mt -54.18 157.51 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -100.3 155.74 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -40.99 -46.92 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.16 -47.8 71.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -62.15 -54.15 45.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -49.82 -46.01 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -63.77 -37.95 89.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -60.55 -50.67 72.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -65.19 -36.76 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.708 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -70.18 -34.14 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.01 -53.15 13.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.4 ptm -60.84 -34.9 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.79 -49.28 54.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -58.52 -50.93 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.13 -34.45 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -63.54 -47.8 80.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -66.76 -40.84 88.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.37 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 79' ' ' SER . . . -68.11 -34.22 75.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -86.16 -67.73 1.37 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.564 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' GLY . 20.3 mtmt -34.47 -44.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.9 144.07 48.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -16.56 37.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.602 2.202 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.6 171.11 33.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 157.24 60.89 Favored 'Trans proline' 0 N--CA 1.466 -0.122 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HB2' ' HB1' ' A' ' 71' ' ' ALA . 6.8 m -166.74 110.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -127.57 136.7 52.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.75 161.13 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -174.84 148.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.89 143.98 27.75 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.535 0.683 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.57 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.38 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.6 p -127.58 137.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.2 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -152.17 118.29 5.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.9 m -156.07 139.73 16.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -149.72 146.63 27.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.7 146.42 20.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 149.1 66.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.304 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 m -127.57 32.38 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -105.5 162.24 13.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -110.85 151.9 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -62.07 -53.87 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.76 -44.49 2.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -84.21 130.58 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.814 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 m -93.26 107.85 19.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.23 151.95 18.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -109.75 142.81 26.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.81 26.07 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.74 130.16 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -2.47 21.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -79.64 128.72 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.42 143.15 57.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -148.55 164.42 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -49.75 153.35 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.9 t-20 -163.49 169.4 18.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.04 -45.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.62 -58.76 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -44.17 -43.84 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.57 -40.06 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HG13 ' A' ' 39' ' ' VAL . 49.6 t -72.73 -34.16 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.46 -33.15 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -86.28 6.29 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -120.47 -14.38 8.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.4 mt -50.28 -58.64 9.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 111.168 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.0 Cg_endo -69.87 -22.03 32.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -71.98 -36.32 69.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' SG ' ' A' ' 46' ' ' CYS . 94.6 mt -78.98 -38.77 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -49.04 -45.89 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -61.69 -39.39 91.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -58.93 -41.36 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.25 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -129.09 143.74 49.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 82.8 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.585 2.19 . . . . 0.0 112.364 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 29' ' ' LEU . 2.3 m -127.76 92.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.86 -36.78 21.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -136.95 -177.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.709 HG13 HG11 ' A' ' 22' ' ' VAL . 22.3 t -61.62 -50.72 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.06 -23.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.71 -37.93 16.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.13 4.55 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -60.81 -58.05 22.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.75 -48.12 0.79 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -54.99 -16.09 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.549 ' SG ' HD11 ' A' ' 29' ' ' LEU . 83.2 m -129.41 31.89 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.9 p -83.56 -46.23 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -72.81 -34.55 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.8 -37.55 84.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.652 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 58.5 t-105 -65.93 -39.64 90.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.27 -14.71 57.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.87 -23.62 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 3.8 mt -54.23 160.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -98.78 149.56 22.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -42.49 -46.79 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -54.85 -46.94 74.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.82 -53.94 51.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 59.2 mttt -50.61 -46.97 58.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.9 -48.48 81.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -53.06 -53.92 43.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -57.01 -40.76 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.51 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.01 -41.6 95.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -62.19 -55.31 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.2 ptp -58.9 -34.43 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.97 -54.4 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 22.4 mtm105 -56.27 -54.4 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.06 -40.23 73.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.31 -48.77 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -64.05 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.35 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.88 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -71.55 -22.92 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.8 -40.79 4.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -84.98 39.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.837 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -145.34 143.6 20.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -17.89 37.17 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.23 83.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.8 Cg_endo -69.74 -5.51 16.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' PRO . 34.2 t -38.03 138.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.16 -74.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mttt 57.0 52.18 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.9 120.59 5.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 151.48 78.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 91.47 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.19 128.85 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -112.07 80.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.9 p -137.79 122.8 19.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -148.12 148.43 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.42 147.59 5.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.7 p -84.71 82.53 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 p -93.54 138.32 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.0 t -34.59 -58.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -51.44 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.67 112.15 2.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -41.83 152.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -50.02 154.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.795 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.9 -42.89 0.11 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.9 mtt -62.31 143.85 95.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 165.39 31.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ARG . 32.7 m-20 -110.37 -52.55 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 12' ' ' LYS . 10.7 ptp180 -35.62 -39.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 9.8 mptt -66.36 118.52 10.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 135.95 57.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -170.61 169.44 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 71.3 mtt85 -68.81 121.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -130.33 -179.35 5.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.16 -37.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.46 -56.56 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 12.2 t80 -48.91 -45.72 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.8 m-85 -60.13 -42.29 94.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.454 ' CD1' HD11 ' A' ' 53' ' ' LEU . 68.7 t80 -64.11 -46.75 82.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG11 HG13 ' A' ' 39' ' ' VAL . 94.8 t -60.75 -46.71 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -53.56 -41.54 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.68 9.07 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -119.75 -24.1 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -42.85 -58.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.666 0.745 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.69 -23.63 30.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.75 -39.02 73.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 ' HB2' HG21 ' A' ' 36' ' ' VAL . 83.7 mt -78.05 -42.67 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' CG ' HG23 ' A' ' 36' ' ' VAL . 14.2 mtp-105 -46.27 -47.69 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -70.41 -36.05 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -55.77 -44.11 77.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.96 44.12 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.3 mt -132.44 143.86 50.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.397 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -122.92 105.64 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.53 -40.08 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -141.36 175.44 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.786 HG13 HG11 ' A' ' 22' ' ' VAL . 24.8 t -50.9 -43.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.51 -39.28 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.1 m-20 -74.44 -37.96 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.28 -13.14 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.9 mt -47.53 -58.41 7.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -46.97 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.381 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 27.3 m-85 -59.97 -12.39 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 86.1 m -108.32 -35.72 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' CYS . 51.7 p -36.05 -34.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' CYS . 37.0 m -72.88 -53.02 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.611 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.1 t70 -59.79 -47.64 84.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.538 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.4 t-105 -52.82 -38.41 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.75 -19.23 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 49' ' ' ASP . 33.1 mt -80.5 -29.8 37.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.5 mt -53.4 158.04 1.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -97.77 155.9 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -45.14 -43.86 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.29 -48.67 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 53' ' ' LEU . 28.5 mm-40 -58.96 -53.92 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -53.31 -46.11 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.29 -41.49 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -61.87 -49.1 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.88 -36.82 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -69.89 -37.7 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.42 -34.74 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.72 -54.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -57.51 -56.82 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.52 -35.04 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 72' ' ' GLN . 70.9 t90 -65.07 -51.53 60.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -58.58 -38.68 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.52 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.13 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 63.3 mm-40 -72.46 -26.52 61.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.7 70.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 75' ' ' ASP . 37.1 tttt -49.19 156.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 19.7 t70 -49.66 139.97 15.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.2 Cg_endo -69.78 1.87 4.05 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.88 169.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.546 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 124.2 10.85 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.9 p -78.33 164.09 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.8 170.51 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.44 150.95 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.89 133.05 34.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -105.68 152.97 40.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.529 0.68 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 176.71 6.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.29 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 85' ' ' VAL . 8.9 t 63.92 40.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -152.72 115.71 4.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -144.56 141.87 29.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -87.65 -51.64 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.21 79.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 92.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.264 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -94.93 94.73 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 m -124.36 155.29 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.497 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -90.26 112.5 24.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.84 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -145.74 156.05 43.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.97 -100.73 0.17 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -46.14 -49.68 16.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -124.62 146.66 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.92 103.63 0.83 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 152.46 66.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.501 0.667 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 98.12 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -51.4 101.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -81.86 47.65 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -131.73 169.63 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.06 90.82 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -129.3 92.96 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 40.2 mtt-85 -63.28 115.12 4.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -120.1 179.2 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -40.46 -44.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -58.11 -51.0 71.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.523 ' CE2' ' HD3' ' A' ' 15' ' ' ARG . 86.4 t80 -52.95 -48.59 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.0 m-85 -59.26 -38.67 80.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -64.9 -50.52 66.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 39' ' ' VAL . 95.4 t -61.9 -33.1 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 39' ' ' VAL . 7.2 tp-100 -63.99 -41.09 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.17 10.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -120.16 -25.69 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.571 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.2 mt -38.94 -58.71 1.63 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.9 Cg_endo -69.71 -22.62 32.08 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.658 2.239 . . . . 0.0 112.411 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.06 -41.86 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 54.1 mt -74.4 -37.99 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.641 ' HG3' HG23 ' A' ' 36' ' ' VAL . 6.1 mtp-105 -50.23 -40.22 46.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -74.0 -37.56 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -56.59 -44.27 80.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.43 47.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 36' ' ' VAL . 84.5 mt -129.68 143.53 49.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 30' ' ' ARG . 1.7 m -122.69 111.19 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.57 -35.44 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -140.4 174.29 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.571 ' N ' HD11 ' A' ' 26' ' ' ILE . 77.0 t -51.96 -49.11 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.93 -35.92 25.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.8 m-20 -73.36 -34.67 65.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.94 -9.65 55.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 mt -47.2 -57.84 8.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.79 -34.83 13.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 17.2 m-85 -79.21 11.41 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' SER . 35.0 m -128.15 -41.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' CYS . 35.0 t -35.14 -44.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -57.88 -57.74 11.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 -38.91 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' HD12 ' A' ' 53' ' ' LEU . 73.7 t-105 -57.94 -40.88 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.13 -34.01 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 57' ' ' GLU . 15.1 mt -55.25 155.91 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.29 167.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -51.65 -46.36 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -54.98 -50.24 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.795 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 53' ' ' LEU . 24.3 mm-40 -58.37 -54.79 43.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -50.29 -47.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.5 -46.12 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -55.65 -51.73 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.14 -42.52 86.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -65.28 -42.4 93.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.81 -54.07 50.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.0 ptp -60.24 -32.45 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.62 -53.11 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -59.18 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.97 -42.29 84.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.408 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 55.2 t90 -61.79 -46.67 88.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -60.28 -39.49 87.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.57 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.13 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.92 -26.73 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -88.17 -61.27 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' GLY . 15.8 tppt? -35.37 124.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.744 0.307 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 11.1 t70 -129.09 139.77 36.66 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -0.0 6.3 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.253 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.15 -95.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 95.7 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.277 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.5 p -162.49 125.21 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -154.56 161.33 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -52.07 140.33 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.92 161.51 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -112.27 144.97 31.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 107.72 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.3 119.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -111.25 130.85 55.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 90.6 m -60.63 -57.96 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -90.87 155.31 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.5 41.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -12.18 32.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.632 2.222 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.5 m 50.67 46.53 25.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -109.48 107.63 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.446 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -94.44 96.56 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -74.73 96.06 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.48 -45.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -109.33 -51.6 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -167.14 174.41 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.86 -94.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -136.24 144.2 46.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 132.73 23.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -152.97 108.06 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.21 83.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -109.3 112.99 25.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.6 95.42 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -123.01 169.39 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -91.53 146.89 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ALA . 6.0 t-20 -163.96 166.62 21.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.675 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.7 -44.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.69 -53.01 62.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -51.89 -49.62 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.99 -33.77 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.46 -45.46 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.68 -32.48 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -63.96 -34.28 77.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.39 5.91 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -117.46 -21.47 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.586 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.3 mt -42.02 -58.06 3.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.71 -22.68 31.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.91 -37.94 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 34' ' ' LEU . 83.7 mt -78.98 -37.48 39.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' HG3' HG23 ' A' ' 36' ' ' VAL . 20.2 mtt-85 -52.2 -36.1 51.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -82.07 -28.69 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -63.88 -39.02 93.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.37 44.61 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' VAL . 51.2 mt -131.07 142.31 45.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -135.41 121.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.54 -20.96 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -163.08 174.13 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.586 ' N ' HD11 ' A' ' 26' ' ' ILE . 21.3 t -45.53 -53.7 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.95 -39.27 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t0 -74.01 -40.55 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.58 5.87 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.59 18.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.75 -40.03 5.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.24 -7.49 9.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 33.1 m -113.51 -31.25 6.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' CYS . 4.8 t -36.83 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 67.5 m -76.0 -53.43 8.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.784 ' HA ' HD12 ' A' ' 52' ' ' LEU . 6.2 t70 -62.97 -41.81 99.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 74.3 t-105 -59.71 -36.19 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.01 -18.84 65.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 49' ' ' ASP . 18.9 mt -80.25 -30.25 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 9.8 mt -53.56 158.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -102.62 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -48.05 -47.82 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -53.42 -52.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.601 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.4 mm-40 -55.05 -57.0 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -47.64 -46.49 28.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -59.44 -51.21 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.66 -51.61 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.437 ' CD1' ' HE3' ' A' ' 64' ' ' MET . 26.0 m-85 -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.675 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -63.92 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 3.3 tp10 -62.79 -55.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 3.5 ptp -58.94 -32.78 69.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.35 -44.26 79.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.3 mtp85 -67.16 -36.82 82.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 12.7 mt-10 -67.62 -43.37 80.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -65.56 -46.65 78.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -60.24 -45.1 94.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.68 -51.9 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.66 75.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -77.17 -25.04 51.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.18 -59.27 3.16 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' ASP . 17.5 ptmt -88.56 38.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 1.4 t70 -37.93 141.21 0.51 Allowed Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.578 0.704 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.84 -15.53 36.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.72 -95.48 0.6 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.473 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 112.45 3.06 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.3 p -86.81 133.82 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.65 155.2 45.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -157.22 123.22 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -74.53 175.44 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 14.3 ttmt -131.08 140.64 39.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.49 0.662 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 83' ' ' LYS . 53.4 Cg_endo -69.72 152.87 69.62 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.92 -33.12 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -174.14 127.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.1 m -128.94 141.19 51.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 t -135.81 134.42 38.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.86 -159.86 28.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.638 2.226 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -168.67 162.65 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m -74.67 82.55 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -79.8 82.3 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m 48.21 52.3 13.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.4 129.15 4.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.427 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 139.58 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -65.68 175.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.41 56.12 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.5 mtt -120.36 143.85 36.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 131.24 20.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -57.89 123.95 17.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -126.32 156.41 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.21 83.74 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.93 147.77 22.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.4 p -106.1 -43.65 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -85.61 133.83 34.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ALA . 13.7 m120 -148.64 172.21 14.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -35.17 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -61.5 -51.36 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.76 -45.79 67.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.9 m-85 -61.33 -38.75 88.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -70.73 -41.91 71.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.817 HG11 HG13 ' A' ' 39' ' ' VAL . 44.5 t -69.4 -37.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -62.76 -35.66 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.77 1.23 39.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -112.02 -16.29 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -51.12 -57.85 12.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.7 Cg_endo -69.79 -23.88 30.15 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.27 -37.73 74.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.74 -41.06 46.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -46.15 -42.87 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 15.5 mtp-105 -73.14 -34.46 66.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -57.67 -44.06 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 42.98 0.35 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.7 mt -127.12 144.09 49.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.13 129.2 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.01 -32.29 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.84 -178.87 6.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.817 HG13 HG11 ' A' ' 22' ' ' VAL . 68.4 t -50.85 -54.96 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.85 -29.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 75.9 m-20 -86.71 -40.23 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.0 2.81 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -62.76 -58.72 15.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.9 Cg_endo -69.85 -43.51 2.54 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 25.9 m-85 -61.93 -8.6 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' SER . 94.3 m -117.05 -29.43 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 p -38.62 -31.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' CYS . 35.9 p -75.85 -53.27 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.47 -44.45 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 72.4 t-105 -57.0 -36.33 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.23 -12.82 62.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.49 -22.24 23.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 8.0 mt -58.95 158.71 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.59 162.7 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.18 -50.04 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -54.51 -44.43 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.3 mm-40 -60.13 -56.62 19.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -51.93 -40.06 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.7 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.95 -42.93 84.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -68.35 -32.81 73.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.415 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.52 -49.12 76.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 24.0 ptm -60.1 -45.41 93.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -59.85 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -57.08 -48.86 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -57.56 -38.69 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -64.6 -46.89 80.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -63.1 -45.66 91.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.98 96.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.31 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -77.56 -25.7 50.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 71.84 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -71.8 149.54 45.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.76 143.87 28.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -17.59 37.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.44 146.31 4.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 108.22 2.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.595 2.197 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t 54.55 40.97 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -144.25 154.98 43.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -140.26 176.28 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -155.35 135.55 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 143.97 92.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 177.22 5.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.2 t -97.78 105.07 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -53.29 124.92 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -151.67 155.18 37.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -144.34 114.82 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.82 -95.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.72 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 t 60.14 33.84 21.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -92.76 -43.95 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -125.7 -51.12 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.794 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -93.11 117.87 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.78 -125.53 7.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -163.13 164.32 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -169.86 137.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.27 -123.54 5.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.8 ptm -155.92 143.74 14.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.628 2.218 . . . . 0.0 112.445 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -105.11 134.05 48.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -65.6 103.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -133.8 111.4 10.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.59 129.7 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 m -113.9 125.9 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -105.15 149.7 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -160.92 159.28 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.733 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -33.29 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -65.19 -53.58 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CE1' HG21 ' A' ' 39' ' ' VAL . 59.1 t80 -50.87 -46.96 60.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.5 m-85 -56.4 -44.0 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.27 -48.04 77.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 39' ' ' VAL . 90.5 t -62.8 -38.36 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -60.36 -41.68 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.86 8.15 5.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -120.08 -23.12 6.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.4 mt -41.35 -58.46 2.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 111.153 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.5 Cg_endo -69.7 -21.17 34.16 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.764 2.31 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.27 -36.63 69.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.31 -40.43 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.795 ' HG3' HG23 ' A' ' 36' ' ' VAL . 55.3 mtp85 -48.77 -41.17 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -71.05 -42.54 69.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -52.44 -40.48 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.67 45.6 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 36' ' ' VAL . 90.6 mt -129.01 143.44 48.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 85.1 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -126.06 108.98 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.61 -40.07 8.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -139.59 174.25 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 19' ' ' TYR . 65.3 t -48.75 -51.81 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.4 -37.3 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -77.74 -39.03 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.58 5.85 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -66.17 -58.19 11.32 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.75 -44.97 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 30.4 m-85 -57.63 -12.66 3.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 75.9 m -110.34 -30.04 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.2 p -34.93 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 10.3 t -72.01 -55.99 6.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -57.43 -47.1 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CE3' ' CD1' ' A' ' 53' ' ' LEU . 69.8 t-105 -58.61 -36.34 73.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.03 -8.9 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.68 -23.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' CD1' ' CE3' ' A' ' 50' ' ' TRP . 5.8 mt -56.81 156.74 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -94.7 156.11 16.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -46.6 -44.99 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.07 -47.17 81.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.542 ' CB ' HD22 ' A' ' 53' ' ' LEU . 32.9 mm-40 -59.2 -55.34 36.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -52.16 -45.95 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.15 -41.65 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -61.24 -49.48 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -59.63 -37.35 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -68.54 -40.09 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.46 -49.38 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 ptm -65.39 -28.99 69.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -70.71 -60.14 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -56.94 -56.56 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 7.3 pt-20 -53.4 -43.89 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 65.2 t90 -57.98 -49.64 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -42.52 88.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.86 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.79 -36.59 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -74.65 -21.64 59.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.96 -56.82 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -85.91 119.58 26.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 2.5 t70 -174.59 140.7 0.71 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.8 -3.92 13.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.86 84.03 0.37 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -40.29 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.64 2.227 . . . . 0.0 112.274 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -52.01 104.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.25 145.28 29.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -115.92 123.35 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -163.84 146.81 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -138.74 143.97 39.95 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.93 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.9 t -88.32 92.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -166.92 134.36 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 t -48.03 133.89 14.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -56.94 132.26 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.82 83.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 150.33 67.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.1 p -113.22 -54.35 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.4 t -66.36 81.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 52.1 p 34.5 42.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -54.1 -46.05 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.8 41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -87.92 92.79 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -53.43 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.81 173.39 13.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -136.94 145.57 51.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.533 0.682 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 179.63 3.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.407 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -151.56 154.76 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 1.1 tpm_? -172.28 113.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.5 tttm 62.98 42.42 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.82 175.62 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.999 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -52.55 174.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -66.46 123.68 20.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 m-80 -126.17 175.73 7.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.54 -35.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -69.93 -48.09 59.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ASN . 21.4 t80 -58.26 -41.72 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.6 m-85 -61.79 -40.45 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 53' ' ' LEU . 80.1 t80 -66.91 -48.28 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 39' ' ' VAL . 31.7 t -62.29 -41.75 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -44.97 78.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.98 8.89 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -119.68 -18.57 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.8 mt -46.07 -57.74 7.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -25.77 28.11 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.08 -24.89 63.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.709 ' HB2' HG21 ' A' ' 36' ' ' VAL . 14.3 mt -91.14 -43.38 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.791 ' HG3' HG23 ' A' ' 36' ' ' VAL . 33.8 mtt180 -49.98 -33.18 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -75.74 -36.35 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -60.71 -40.33 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.59 39.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 36' ' ' VAL . 49.8 mt -124.18 142.84 41.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.83 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -125.91 107.26 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.96 -31.51 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -137.04 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 22' ' ' VAL . 97.3 t -56.11 -53.4 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.12 -30.86 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.24 -39.39 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.48 6.17 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.2 mt -61.63 -58.62 17.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.72 -40.07 5.82 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.743 2.295 . . . . 0.0 112.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.88 -6.75 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 m -120.75 -19.31 7.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -46.13 -23.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.7 p -86.4 -41.54 14.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HA ' HD12 ' A' ' 52' ' ' LEU . 54.9 m-20 -67.96 -41.77 81.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 53' ' ' LEU . 65.2 t-105 -61.55 -36.11 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.46 66.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 49' ' ' ASP . 49.6 mt -79.82 -32.37 40.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 57' ' ' GLU . 11.5 mt -49.57 149.45 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -91.79 159.13 15.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -46.15 -49.31 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.54 -46.63 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.75 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.2 mm-40 -58.99 -56.2 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 50' ' ' TRP . 58.9 mttt -48.99 -47.99 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.69 -50.67 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.83 -52.87 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -56.5 -42.51 78.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.76 -41.35 92.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -60.03 -50.53 73.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 8.0 ptp -63.69 -33.61 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.35 -58.71 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.34 -57.56 12.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -52.05 -31.83 31.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -69.84 -52.03 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.28 -43.58 92.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.18 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.63 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -74.34 -25.96 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.43 -73.05 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -73.43 131.29 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 21.5 t70 -87.67 140.0 31.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.9 Cg_endo -69.76 -19.83 35.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.92 170.63 13.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.79 36.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -72.82 157.3 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -92.25 136.09 33.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' GLN . 1.6 tmtt? -171.7 148.01 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' LYS . 38.0 tt0 -35.08 102.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -136.97 137.43 23.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 53.8 Cg_endo -69.77 -164.2 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.45 104.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -42.84 142.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -112.75 88.94 2.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -48.02 146.92 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.99 152.32 20.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.619 2.213 . . . . 0.0 112.363 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 t -173.77 171.08 3.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.4 m -110.63 164.95 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -136.61 125.45 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -66.62 93.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.35 132.51 1.47 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.568 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -169.24 119.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -45.41 -57.64 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.805 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.75 -127.51 8.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.573 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -126.51 134.93 26.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.539 0.685 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -173.06 121.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' N ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -145.29 128.95 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -116.06 93.18 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.67 164.83 36.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 t -85.07 -52.26 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.42 107.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 3.3 t-20 -123.61 -177.8 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -37.52 -46.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -58.49 -51.79 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -53.61 -43.94 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.4 m-85 -64.87 -32.78 74.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.26 -41.97 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.31 -36.91 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.14 -42.5 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -78.38 0.55 25.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -110.31 -21.63 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -40.91 -58.65 2.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.82 -25.2 28.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -69.35 -41.34 76.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 36' ' ' VAL . 25.8 mt -73.88 -39.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.761 ' HG3' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp180 -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -64.11 -39.07 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -58.79 -41.64 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.76 29.23 1.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.556 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.5 mt -108.77 144.05 28.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -128.01 113.27 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.53 -37.61 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -139.42 -175.66 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.44 -52.23 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.92 -32.73 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 5.3 m-20 -76.18 -42.06 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.27 24.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.2 mt -65.81 -58.76 10.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.1 Cg_endo -69.69 -45.58 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.3 m-85 -56.59 -13.04 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' SER . 39.0 m -110.62 -30.58 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 49.2 p -35.7 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.6 m -77.23 -52.33 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.71 -44.45 93.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -54.4 -36.47 63.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -17.9 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.99 -28.93 39.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 57' ' ' GLU . 17.2 mt -58.3 159.68 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -107.57 164.39 12.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.8 -47.38 10.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -54.12 -52.54 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB3' HD22 ' A' ' 53' ' ' LEU . 3.8 mm-40 -56.49 -55.36 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -50.2 -45.04 53.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.12 -49.47 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -53.99 -51.69 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -57.13 -41.81 79.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.19 -39.26 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.49 -52.05 65.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.9 ptm -63.14 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -67.76 -58.28 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -59.26 -56.87 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.1 -39.25 55.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -64.31 -51.91 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.12 -46.34 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.85 53.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.57 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -68.29 -26.63 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.06 44.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -132.92 73.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.25 144.08 62.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.81 37.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.604 2.203 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.46 -158.45 24.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.48 45.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.386 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -116.88 99.13 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -76.1 170.46 16.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -103.52 48.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -124.31 99.66 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 8.1 pttm -132.91 81.79 57.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 149.59 67.11 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -125.74 128.56 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -75.52 148.98 38.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.3 m -118.29 125.4 50.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.1 p -86.42 152.02 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.48 74.09 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 1.48 4.33 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.666 2.244 . . . . 0.0 112.399 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m 57.14 49.52 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.2 p -82.47 169.67 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -105.11 104.76 14.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p 45.44 42.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.95 47.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -172.01 128.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -69.31 142.26 54.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.84 -165.76 24.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 ptp -110.71 143.81 28.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.2 50.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.302 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -63.16 167.92 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 88' ' ' SER . 26.9 ttt-85 -119.68 -57.91 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.18 101.16 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.99 176.5 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.5 p -169.83 156.87 6.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -66.14 150.66 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ALA . 27.6 m120 -159.92 171.27 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -35.3 -44.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -56.32 -54.44 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -49.79 -50.99 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.02 -39.34 78.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.49 -51.85 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 63.0 t -60.45 -42.91 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -53.69 -41.9 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.75 12.57 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -123.39 -22.96 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.2 mt -41.15 -58.72 2.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.4 Cg_endo -69.75 -22.58 31.91 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.691 2.26 . . . . 0.0 112.332 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -72.42 -39.46 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 36' ' ' VAL . 87.6 mt -79.37 -42.41 25.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 36' ' ' VAL . 34.4 mtp180 -46.71 -45.57 19.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.59 -37.84 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -53.19 -43.91 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.87 42.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 36' ' ' VAL . 85.2 mt -130.07 143.33 48.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 84.47 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 30' ' ' ARG . 2.0 m -126.36 108.63 19.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.87 -34.25 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -143.26 171.29 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 22' ' ' VAL . 71.9 t -48.49 -49.13 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -46.84 -38.42 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.582 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 4.9 m-20 -73.84 -36.75 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -82.57 -14.23 55.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 mt -46.58 -58.12 7.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.75 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.6 Cg_endo -69.76 -36.38 10.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 21.0 m-85 -75.88 6.03 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 5.2 m -117.73 -40.33 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' CYS . 84.2 p -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' CYS . 20.9 m -63.75 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.521 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.54 -39.72 81.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 53' ' ' LEU . 76.1 t-105 -58.67 -43.05 89.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.57 -22.8 64.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 49' ' ' ASP . 42.4 mt -78.45 -32.34 48.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.1 mt -52.25 151.91 3.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -93.7 162.66 13.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.61 -48.32 49.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.05 -46.31 75.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.644 ' HB3' HD22 ' A' ' 53' ' ' LEU . 60.0 mm-40 -59.18 -54.58 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -50.4 -47.79 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.88 -46.74 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -55.02 -52.27 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.83 -42.89 85.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.82 -42.18 95.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -60.2 -54.87 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 2.5 ptp -58.82 -33.7 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -67.26 -48.19 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -61.4 -47.73 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -60.18 -41.24 92.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.488 ' CE3' ' HG2' ' A' ' 69' ' ' ARG . 47.6 t90 -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HG2' ' CE3' ' A' ' 68' ' ' TRP . 19.6 mmm-85 -62.35 -40.08 95.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.88 -48.95 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.63 86.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 68' ' ' TRP . 80.8 mm-40 -70.84 -26.65 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.04 -51.84 4.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.67 98.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -109.39 140.17 21.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.664 0.745 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -0.16 6.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.86 140.03 15.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.7 Cg_endo -69.82 -1.62 8.82 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' PRO . 24.9 t -37.01 -65.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -158.84 164.68 35.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -101.63 -48.31 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.33 153.42 21.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -72.98 140.14 80.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 116.4 4.55 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 85' ' ' VAL . 13.4 p -133.9 129.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -100.97 124.06 46.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -98.37 97.35 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.428 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 21.6 m -62.53 155.33 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 -162.47 16.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.34 38.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -76.44 -49.49 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m 49.17 42.39 21.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -54.06 109.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -158.26 132.81 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.62 -96.49 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -138.74 173.63 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -82.47 151.92 26.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.32 -125.46 5.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.469 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 6.2 ttt -132.19 140.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 8' ' ' MET . 54.7 Cg_endo -69.75 127.7 14.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.73 2.287 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -102.73 161.97 13.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -141.24 169.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mttt 46.92 45.15 15.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 153.56 41.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.1 m -102.41 -43.53 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -105.49 130.87 53.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -142.67 179.32 7.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.2 -47.09 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -56.31 -53.31 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.62 -48.44 69.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -56.96 -39.84 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 t80 -69.45 -54.83 12.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' CG1' HG13 ' A' ' 39' ' ' VAL . 53.7 t -57.16 -37.09 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.33 -35.39 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -82.44 7.31 14.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 21' ' ' PHE . 60.9 mmtt -117.7 -22.15 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -38.86 -58.62 1.63 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -22.88 31.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.77 -29.67 64.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB2' HG21 ' A' ' 36' ' ' VAL . 20.3 mt -84.03 -43.74 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 36' ' ' VAL . 53.4 mtp180 -44.28 -39.48 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -75.65 -30.56 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.7 mtt180 -63.42 -42.81 98.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.28 43.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 36' ' ' VAL . 26.4 mt -130.2 142.8 46.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -121.65 114.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.57 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 4.3 ptp180 -144.87 -178.38 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' CG1' ' A' ' 22' ' ' VAL . 78.4 t -55.23 -56.07 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -43.93 -30.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.79 -44.15 19.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.33 5.86 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 40' ' ' ALA . 2.5 mt -63.99 -58.13 15.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.9 Cg_endo -69.73 -42.39 3.47 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.71 -10.65 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' SER . 6.1 m -111.76 -26.5 8.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' CYS . 8.3 t -38.09 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' CYS . 69.4 m -78.36 -52.28 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.19 -46.99 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.629 ' HA ' HD12 ' A' ' 53' ' ' LEU . 72.0 t-105 -55.52 -33.82 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.18 -20.91 62.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.21 -22.11 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 57' ' ' GLU . 9.5 mt -62.73 163.76 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -109.12 163.36 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -45.93 -45.03 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -55.45 -49.82 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.679 ' HB3' HD22 ' A' ' 53' ' ' LEU . 5.6 mm-40 -58.73 -53.77 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -52.66 -45.56 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.96 -41.07 97.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -59.5 -50.53 73.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -61.57 -37.8 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.62 81.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.3 -53.99 24.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 ptm -62.0 -32.03 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.79 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -58.07 -55.44 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.83 -37.77 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -62.99 -52.13 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -56.79 -44.95 82.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.18 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.73 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.73 -19.94 40.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.44 -47.06 7.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt 45.6 44.8 10.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.99 146.59 55.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 110.947 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -9.04 25.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.98 147.2 22.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.1 t -71.21 155.59 40.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.95 158.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -112.59 117.49 32.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -84.71 99.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -168.19 134.2 1.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.663 0.744 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 165.08 32.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.794 2.329 . . . . 0.0 112.302 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.02 140.38 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 87' ' ' THR . 93.4 t80 -156.06 164.64 38.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 86' ' ' PHE . 50.4 p -124.47 129.26 50.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -125.18 97.74 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.35 148.6 24.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 156.42 63.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -85.5 -41.93 14.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -59.77 -178.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -56.51 178.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -86.1 -36.21 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.73 78.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -156.31 150.8 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -100.81 -29.01 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.93 167.69 27.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -83.02 143.77 46.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.15 7.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -79.34 83.91 5.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -121.2 -55.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -60.61 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.24 122.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 m -148.78 112.36 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.811 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -124.43 133.6 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.5 t-20 -144.15 174.14 11.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -36.05 -48.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -58.37 -53.0 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -48.18 -50.05 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.26 -42.37 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.814 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.39 -53.43 57.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.09 -35.27 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tt0 -60.1 -39.21 85.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -82.64 5.19 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -117.79 -18.93 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 23' ' ' GLN . 2.6 mt -46.69 -57.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.581 0.705 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 54.1 Cg_endo -69.75 -23.75 30.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.412 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.48 -40.18 70.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 36' ' ' VAL . 44.0 mt -75.68 -35.24 60.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.644 ' CG ' HG23 ' A' ' 36' ' ' VAL . 62.8 mtp180 -57.28 -36.86 71.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -79.99 -29.83 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' VAL . 44.6 mt -131.85 143.89 50.97 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.23 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -125.06 122.57 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.44 -28.77 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -165.09 173.96 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' N ' HD11 ' A' ' 26' ' ' ILE . 24.8 t -38.49 -62.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -36.87 -40.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.24 -42.35 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . -81.96 1.66 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.1 mt -59.75 -58.75 17.14 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.663 0.744 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 43' ' ' ILE . 52.8 Cg_endo -69.83 -37.51 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.286 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -70.04 -0.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' SER . 24.4 m -118.65 -33.77 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' CYS . 54.0 p -37.56 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' CYS . 52.8 p -73.62 -53.96 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.14 -42.48 99.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CE3' HD12 ' A' ' 53' ' ' LEU . 74.8 t-105 -57.78 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.17 -14.39 62.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.81 -23.88 25.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD12 ' CE3' ' A' ' 50' ' ' TRP . 18.3 mt -61.1 159.25 12.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -106.75 162.96 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -46.49 -47.83 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.31 -51.94 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.626 ' CB ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -56.49 -54.49 45.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -49.79 -46.83 51.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.63 -52.77 64.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -50.47 -54.87 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -54.81 -41.28 70.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -66.15 -41.32 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.34 -49.99 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 12.5 ptp -64.73 -32.05 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -66.72 -57.31 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 4.5 ptp180 -58.89 -55.67 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -52.03 -42.33 62.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.3 -51.16 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -57.83 -41.39 82.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.03 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -31.38 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -79.71 -25.97 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.57 76.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -50.04 162.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 12.3 t70 -100.56 139.78 20.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 54.0 Cg_endo -69.71 -0.72 7.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.89 -161.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -0.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.731 2.288 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.8 p -57.29 159.96 4.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.39 149.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 105.31 11.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -101.12 150.58 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 143.86 29.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.583 0.706 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.62 61.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -98.91 116.58 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.95 157.74 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.9 t -170.0 158.2 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -112.01 155.79 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.83 146.26 18.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 103.07 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.219 . . . . 0.0 112.326 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 p -41.62 -38.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.6 m 55.34 37.3 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.428 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -159.86 160.08 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -71.79 124.11 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 57.06 41.42 27.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -148.7 176.16 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.806 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.41 -140.54 7.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 ptm -53.77 150.8 12.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.712 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -18.31 37.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.254 . . . . 0.0 112.343 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 119.58 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -155.72 152.96 29.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -92.8 173.71 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.78 115.33 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -135.98 145.45 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -55.93 113.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' TYR . 21.1 m120 -121.3 173.24 7.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.68 -49.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -54.05 -45.65 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ASN . 15.7 t80 -62.28 -43.95 97.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -64.31 -27.54 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 53' ' ' LEU . 73.1 t80 -80.17 -36.95 34.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.81 HG11 HG13 ' A' ' 39' ' ' VAL . 20.2 t -73.35 -41.46 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -39.15 82.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.09 9.47 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -121.7 -24.07 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -43.31 -57.86 4.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.729 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.277 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.13 -33.67 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 HD12 ' A' ' 34' ' ' LEU . 51.2 mt -81.2 -47.56 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.666 ' HG3' HG23 ' A' ' 36' ' ' VAL . 16.8 mtp85 -39.81 -43.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -69.81 -40.5 75.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -55.69 -41.01 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.12 42.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 29' ' ' LEU . 91.0 mt -125.84 144.14 47.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.545 0.688 . . . . 0.0 110.986 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 88.21 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.571 2.181 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -128.45 106.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.87 -42.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -139.57 -178.07 5.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 22' ' ' VAL . 54.8 t -55.49 -50.56 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -47.22 -28.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -42.92 15.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.04 7.61 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 44' ' ' PRO . 2.5 mt -67.37 -58.66 8.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 43' ' ' ILE . 54.2 Cg_endo -69.7 -42.38 3.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -58.91 -11.38 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.88 17.98 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 97.0 p -70.04 -44.98 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -73.86 -40.73 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.27 -36.84 73.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CE3' HD12 ' A' ' 53' ' ' LEU . 66.3 t-105 -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.93 -11.81 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 49' ' ' ASP . 80.5 mt -85.98 -22.3 27.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 57' ' ' GLU . 7.4 mt -60.93 158.16 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -92.44 155.9 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -46.84 -47.02 21.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.8 -45.48 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.597 ' HB3' HD22 ' A' ' 53' ' ' LEU . 23.6 mm-40 -59.69 -55.15 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -50.65 -47.06 58.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.61 -48.21 81.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.35 -52.16 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -57.29 -42.06 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.528 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -65.31 -44.6 87.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.73 -50.78 72.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -61.64 -33.92 74.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.59 -59.55 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 3.6 ptm180 -60.13 -56.9 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.08 -34.79 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -68.55 -52.91 26.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 66' ' ' ARG . 25.8 mtm105 -60.56 -41.45 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.06 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -75.09 -24.45 58.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.8 -35.66 7.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 28.9 mttm 51.98 42.26 30.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 1.8 p30 -36.46 151.92 0.1 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -6.35 18.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.06 83.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.87 31.74 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -94.21 171.19 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -99.07 152.64 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -106.07 169.85 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -162.4 120.84 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -106.4 89.44 4.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -141.27 141.98 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -128.19 114.79 17.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m 67.93 42.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.3 p -38.73 140.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.27 148.62 40.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.71 -46.16 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' PRO . 6.2 t -35.77 -50.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.7 t 66.24 45.51 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.517 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -124.89 -53.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -75.2 128.66 35.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.74 83.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.445 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -75.57 -46.57 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -99.22 135.18 41.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.53 73.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.473 ' CE ' ' HD2' ' A' ' 9' ' ' PRO . 6.3 tpt -134.38 132.91 21.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CE ' ' A' ' 8' ' ' MET . 53.3 Cg_endo -69.72 161.61 45.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -117.75 -45.47 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttm105 -121.35 143.88 48.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -132.86 -176.58 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 14' ' ' SER . . . -131.03 -47.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . 36.4 m -35.47 -65.54 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -131.07 119.12 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.6 m120 -129.78 170.5 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.678 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -34.34 -49.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.06 -48.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 5.7 t80 -55.84 -46.19 78.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.82 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -64.66 -47.87 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.86 -42.21 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.57 8.63 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -121.11 -19.49 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 27' ' ' PRO . 3.1 mt -46.6 -58.66 6.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 26' ' ' ILE . 53.2 Cg_endo -69.78 -22.51 31.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.41 -36.88 68.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD11 ' SG ' ' A' ' 46' ' ' CYS . 19.5 mt -79.2 -47.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 36' ' ' VAL . 23.8 mtp85 -39.05 -45.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -68.35 -40.94 81.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 10.5 mtp-105 -52.63 -45.6 66.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.83 40.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 36' ' ' VAL . 82.2 mt -122.93 143.84 41.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 89.47 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -135.13 114.49 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.111 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.89 -30.01 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -146.99 -178.43 6.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.416 ' N ' HD11 ' A' ' 26' ' ' ILE . 31.7 t -58.01 -53.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.59 -40.5 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.15 7.65 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -63.38 -58.21 16.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.723 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 54.7 Cg_endo -69.68 -41.33 4.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -61.46 -8.98 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 29' ' ' LEU . 97.4 m -130.56 26.67 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 t -83.12 -40.3 19.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 m -77.62 -37.75 49.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.2 m-20 -64.02 -38.52 91.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE3' HD12 ' A' ' 53' ' ' LEU . 64.8 t-105 -64.85 -34.81 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.29 -13.85 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ASP . 79.2 mt -82.4 -31.89 29.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 57' ' ' GLU . 10.1 mt -50.83 159.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.0 mtm180 -102.81 149.1 24.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ARG . 9.6 tp10 -35.36 -52.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.81 -50.62 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 53' ' ' LEU . 52.5 mm-40 -60.03 -52.94 63.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -52.58 -44.27 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.65 -42.15 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -60.28 -48.62 80.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.01 -37.22 84.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.781 ' HB1' ' NH2' ' A' ' 66' ' ' ARG . . . -71.5 -43.08 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.48 -50.33 71.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.53 -34.04 77.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.31 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.781 ' NH2' ' HB1' ' A' ' 62' ' ' ALA . 10.6 ptp180 -59.76 -57.67 11.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -49.97 -35.69 25.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -67.86 -53.09 29.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -57.42 -39.53 76.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.71 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -31.9 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -82.89 -21.68 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -86.16 -42.94 6.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLY . 7.9 tptp 34.33 36.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 73' ' ' GLY . 71.4 m-20 -110.16 145.5 32.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.571 0.701 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.67 5.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.39 82.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 95.8 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t 65.2 44.87 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.97 143.08 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -96.03 151.55 19.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -174.98 144.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.66 143.99 98.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.505 0.669 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.97 3.3 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 85' ' ' VAL . 12.7 p -159.72 120.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -144.01 119.16 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.3 p -118.36 138.5 52.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.6 p -77.01 165.78 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.1 -172.25 44.48 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.39 3.56 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.376 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m 60.82 51.9 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 p -135.44 174.97 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -134.16 -58.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -71.35 140.84 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.69 132.02 52.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -115.15 115.31 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.822 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -73.53 -52.41 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.95 -107.19 0.44 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.95 135.09 42.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 100.9 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.604 2.203 . . . . 0.0 112.409 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -127.45 167.77 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -112.3 142.09 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.58 136.95 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.99 -47.62 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 m -47.1 172.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -87.97 130.77 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 8.0 t-20 -141.22 176.27 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -35.73 -49.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -56.6 -53.28 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 8.9 t80 -49.21 -44.47 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.34 -38.81 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -63.54 -43.94 95.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.47 -25.88 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -78.05 -26.88 48.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -92.65 3.83 54.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 mmtp -117.19 -23.5 7.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.6 mt -38.14 -57.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.1 Cg_endo -69.85 -21.52 32.95 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' LYS . 11.3 tt0 -72.38 -41.52 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 36' ' ' VAL . 96.9 mt -74.73 -39.46 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HG3' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -48.79 -40.77 30.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -77.55 -28.43 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.42 -42.82 98.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.21 38.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.8 mt -127.03 144.03 48.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -124.09 104.39 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.64 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -142.8 176.89 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' CG2' HD11 ' A' ' 26' ' ' ILE . 28.9 t -55.04 -49.67 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.22 -30.32 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.19 -42.6 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -10.09 59.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -47.15 -58.19 7.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.87 -43.16 2.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.613 2.208 . . . . 0.0 112.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -66.87 -6.05 14.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -118.37 -8.14 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 -58.23 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 p -55.34 -27.6 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' HA ' HD12 ' A' ' 52' ' ' LEU . 17.9 m-20 -82.44 -33.45 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.2 t-105 -65.86 -32.29 73.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.36 -14.05 62.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 49' ' ' ASP . 29.5 mt -85.29 -26.07 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.1 mt -57.42 157.04 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -100.33 161.77 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -47.86 -45.18 29.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.77 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CB ' HD22 ' A' ' 53' ' ' LEU . 1.3 mm-40 -56.38 -54.5 44.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -49.37 -47.92 47.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.53 -47.88 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -53.73 -54.61 35.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -56.17 -41.06 74.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -66.64 -39.46 88.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.5 -49.67 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 68' ' ' TRP . 11.1 ptp -65.55 -28.96 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.04 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -57.28 -56.34 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 68' ' ' TRP . 8.1 pt-20 -53.46 -43.59 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 67' ' ' GLU . 60.3 t90 -60.46 -47.45 86.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -62.18 -41.05 97.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.52 87.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.46 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -75.25 -23.51 57.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.99 -69.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -116.54 152.81 33.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -160.17 144.5 10.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.26 15.79 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.07 -90.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.566 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 153.24 69.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.8 p -137.61 126.81 24.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -50.8 154.4 1.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.36 110.85 22.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -38.63 137.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -129.42 143.06 47.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.3 Cg_endo -69.72 -167.27 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 85' ' ' VAL . 12.2 p 33.51 44.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' VAL . 82.0 m-85 -34.23 -41.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -94.75 118.67 32.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.1 t -64.96 -62.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.1 -158.18 15.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 121.1 7.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.5 p -100.71 174.92 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 p -73.69 -47.05 42.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -59.28 169.93 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.814 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -90.44 -59.19 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.94 -133.24 11.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -108.44 -59.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -63.17 127.77 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.22 -112.33 0.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -128.64 149.57 72.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.532 0.682 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 134.09 27.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -85.83 161.44 19.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -86.54 -45.85 10.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -68.47 156.84 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.69 97.34 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -120.08 177.07 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HD3' ' CD1' ' A' ' 19' ' ' TYR . 15.4 mmp_? -48.59 132.81 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.9 t-20 -147.44 163.89 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 50' ' ' TRP . . . -35.14 -37.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -62.93 -46.06 89.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 7.9 t80 -66.93 -42.75 84.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.1 m-85 -65.66 -40.51 92.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.12 -40.55 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.714 ' CG1' ' HB3' ' A' ' 42' ' ' ALA . 53.7 t -68.7 -38.97 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.23 -46.56 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.91 6.94 6.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -120.1 -23.76 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 mt -45.53 -57.81 7.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.711 0.767 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.78 -22.96 31.26 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -70.3 -32.71 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 26.9 mt -79.97 -46.66 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -42.3 -29.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -79.21 -34.89 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 30.7 mtp180 -65.04 -40.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.45 43.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -124.14 139.64 33.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.53 0.681 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.236 . . . . 0.0 112.325 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 29' ' ' LEU . 4.5 m -136.75 119.47 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.4 -37.89 6.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -137.83 -177.07 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG13 HG11 ' A' ' 22' ' ' VAL . 88.3 t -58.64 -47.31 89.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.01 -25.06 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.24 -39.65 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.714 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -86.97 10.88 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.5 mt -68.52 -57.79 8.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.28 . . . . 0.0 112.293 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.33 -8.85 9.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' ASP . 3.9 p -121.72 -20.79 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' CYS . 18.8 t -35.97 -34.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' CYS . 86.8 p -86.68 -40.78 14.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' LEU . 10.7 t0 -60.07 -43.24 95.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.1 t-105 -57.48 -39.76 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.65 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' ASP . 89.1 mt -78.24 -27.33 47.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' CE3' ' A' ' 50' ' ' TRP . 12.0 mt -57.73 160.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -101.63 153.39 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -40.78 -47.44 2.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.3 mp0 -53.92 -50.29 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.539 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.9 mm-40 -59.16 -52.67 64.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -51.49 -47.42 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.81 -53.32 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -49.53 -55.18 14.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -55.71 -42.79 75.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.28 90.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.97 -49.87 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 10.1 ptp -63.51 -35.22 79.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -64.08 -60.24 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -55.37 -57.81 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.26 -35.58 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -66.61 -48.62 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 7.5 mtp-105 -61.04 -38.53 86.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.68 82.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.26 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -79.78 -24.12 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.06 69.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -49.08 -49.65 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -149.68 139.22 13.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 -17.64 37.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.707 2.271 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.81 79.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 -47.45 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -82.43 114.5 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.52 155.52 18.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -154.19 166.61 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -110.21 133.03 53.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.94 84.97 9.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 178.42 4.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.9 m -50.91 146.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -74.83 118.66 18.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.6 p -93.04 -42.39 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -75.2 91.65 2.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -120.37 179.21 16.48 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.71 136.96 34.47 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.652 2.235 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.5 m -84.86 126.4 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.6 m -110.26 42.08 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -71.83 -60.13 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -50.13 172.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.8 78.23 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -90.92 46.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 158.24 44.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.09 64.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.532 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -159.96 151.8 16.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.713 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 93.21 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -85.24 120.71 27.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -72.2 -53.5 12.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 147.09 23.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.0 113.16 24.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 m -110.86 169.1 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -97.39 124.09 41.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -125.01 178.68 5.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.653 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -44.61 -35.7 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.43 -41.63 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -45.49 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 7.7 m-85 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' HA ' ' CE1' ' A' ' 61' ' ' TYR . 37.9 t80 -59.05 -39.97 83.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 42' ' ' ALA . 54.8 t -75.81 -39.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.599 ' NE2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -53.86 -48.43 70.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -78.91 9.61 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -121.86 -23.72 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.8 mt -43.36 -57.92 4.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.5 Cg_endo -69.78 -20.51 34.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.625 2.216 . . . . 0.0 112.365 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.38 -39.21 68.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 34' ' ' LEU . 77.2 mt -74.44 -42.86 58.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HG3' HG23 ' A' ' 36' ' ' VAL . 3.5 mtp-105 -46.75 -35.13 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -75.47 -41.04 56.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -55.41 -41.71 73.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.68 45.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 29' ' ' LEU . 95.3 mt -126.75 141.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.688 0.756 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 80.05 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -123.4 117.67 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.87 -35.17 9.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -150.43 -176.73 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.599 ' CG2' ' NE2' ' A' ' 23' ' ' GLN . 55.1 t -53.62 -51.14 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 -40.72 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -86.03 11.63 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.44 -57.85 6.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.3 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.397 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.79 -11.43 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 p -117.28 -24.84 7.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' CYS . 16.5 t -36.27 -32.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . 89.6 p -85.5 -42.52 14.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.7 t70 -62.5 -47.96 81.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.51 ' CE3' HD12 ' A' ' 53' ' ' LEU . 71.0 t-105 -53.51 -36.38 61.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.27 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.2 -27.97 38.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 57' ' ' GLU . 13.7 mt -54.59 165.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -104.68 164.13 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.41 -47.31 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.09 -50.12 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.3 mm-40 -59.44 -55.41 35.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -52.47 -34.65 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.76 -40.28 76.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HG2' ' HE3' ' A' ' 64' ' ' MET . 41.2 tttt -64.95 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 21' ' ' PHE . 30.0 m-85 -71.8 -38.44 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.653 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -71.52 -46.94 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 2.6 pp20? -62.92 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.46 ' HE3' ' HG2' ' A' ' 60' ' ' LYS . 10.3 ptp -65.98 -38.88 89.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -63.11 -56.14 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 63' ' ' GLU . 14.2 ptt180 -58.07 -56.65 19.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.63 -41.86 32.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.32 -49.8 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -59.8 -40.23 87.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.76 62.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -76.65 -23.56 53.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.26 -73.0 1.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -104.67 137.09 43.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.32 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -115.84 80.8 9.01 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.68 0.752 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.64 167.81 18.43 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 120.76 7.48 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.9 p -100.51 136.97 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -169.15 155.46 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -69.18 175.51 3.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -88.71 -29.67 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -165.87 143.94 4.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.687 0.756 . . . . 0.0 110.816 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 111.58 2.86 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -111.47 147.33 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -132.81 164.87 25.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -95.36 -45.51 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -84.39 88.92 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -112.82 -91.9 1.98 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 108.88 2.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.3 p -150.77 158.84 44.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -47.79 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m 62.41 42.16 9.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -148.47 124.98 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.87 52.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -79.19 113.43 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.811 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 p -91.8 115.47 28.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.48 54.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -114.83 143.52 30.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -2.21 9.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -38.7 98.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.2 mmp_? -111.62 -179.78 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' ARG . 33.9 mtpt -35.51 102.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.8 158.63 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -54.83 158.25 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 53.8 mtm-85 -71.08 128.55 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.485 ' ND2' ' NH2' ' A' ' 66' ' ' ARG . 30.3 m120 -136.86 175.16 9.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . . . -38.26 -47.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.64 -45.05 93.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' A' ' 15' ' ' ARG . 53.1 t80 -56.3 -44.65 80.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 8.2 m-85 -63.35 -41.28 98.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 82.4 t80 -64.13 -57.3 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.771 ' CG1' HG13 ' A' ' 39' ' ' VAL . 92.3 t -55.22 -24.89 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' NE2' HG21 ' A' ' 39' ' ' VAL . 8.0 tp-100 -73.76 -45.36 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 20' ' ' PHE . 1.3 mp0 -74.61 4.34 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mmtm -112.36 -28.92 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 2.9 mt -36.23 -58.62 0.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.9 Cg_endo -69.89 -21.61 32.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.1 tt0 -72.24 -32.54 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 HD12 ' A' ' 34' ' ' LEU . 85.3 mt -83.5 -38.63 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -47.72 -48.78 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.74 -37.95 82.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -55.07 -40.21 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.99 45.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.554 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 29' ' ' LEU . 84.1 mt -128.76 143.4 48.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.57 0.7 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 85.8 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -130.91 123.81 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.98 -30.18 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 3.6 ptm85 -138.43 173.72 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.771 HG13 ' CG1' ' A' ' 22' ' ' VAL . 82.5 t -57.2 -45.61 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.11 -33.4 39.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.96 -39.3 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.75 3.8 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.3 mt -61.05 -58.35 19.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.85 -34.57 14.04 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -73.29 2.77 6.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' ASP . 7.4 m -127.87 -31.34 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' CYS . 28.8 t -36.64 -37.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -70.85 -47.96 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.2 m-20 -63.41 -34.72 78.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 53' ' ' LEU . 75.6 t-105 -63.34 -41.39 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -8.64 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -91.28 -24.82 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 57' ' ' GLU . 14.9 mt -60.92 161.12 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -100.02 157.75 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.84 -43.37 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.98 -45.82 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.578 ' HB3' HD22 ' A' ' 53' ' ' LEU . 13.1 mm-40 -62.24 -54.82 35.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -50.84 -47.13 60.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -60.28 -43.16 96.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.75 -49.3 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.32 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . . . -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.2 -52.72 64.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 11.8 ptp -60.12 -33.93 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -65.41 -52.38 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' NH2' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.45 -36.21 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -64.13 -48.71 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.75 -42.21 97.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.57 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.36 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -71.82 -23.62 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.57 -63.21 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.05 145.83 29.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -122.19 81.42 44.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -9.2 25.54 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.766 2.311 . . . . 0.0 112.312 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.42 145.68 10.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 95.7 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -125.61 153.91 43.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.01 153.99 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -116.85 84.35 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -142.36 128.15 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -163.49 128.12 1.99 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.721 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.48 54.33 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.88 121.34 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -116.3 175.73 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.0 t -157.32 153.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.0 t -99.03 -48.95 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.7 64.71 0.84 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 86.3 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -85.53 112.33 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -70.53 138.9 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.479 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -107.88 132.17 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -170.8 146.44 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.32 -163.62 17.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -69.1 -54.89 12.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -94.39 151.52 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.794 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.92 162.92 13.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 mtt -66.34 149.61 97.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 106.83 1.73 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.703 2.269 . . . . 0.0 112.288 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 113.08 7.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.23 -52.24 24.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -120.55 36.98 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' SER . . . 37.54 52.6 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . 1.8 m -35.58 -67.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -149.96 125.0 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.6 m120 -139.01 173.35 11.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' ' N ' ' A' ' 62' ' ' ALA . . . -34.74 -46.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.0 t80 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ASN . 46.0 t80 -55.96 -40.84 73.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -70.64 -33.52 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.55 -54.43 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -61.87 -27.17 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' HG21 ' A' ' 39' ' ' VAL . 5.3 tp-100 -73.8 -39.38 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.74 11.72 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mmtm -123.07 -25.54 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 3.0 mt -37.05 -58.34 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.8 Cg_endo -69.79 -22.89 31.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.6 2.2 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.0 tp10 -71.15 -40.13 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 36' ' ' VAL . 75.4 mt -75.44 -42.81 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 36' ' ' VAL . 59.3 mtp180 -45.15 -41.24 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -73.0 -42.76 62.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -52.71 -42.79 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.42 45.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 29' ' ' LEU . 87.0 mt -128.85 143.48 48.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -128.97 106.56 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.5 -32.4 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -145.41 175.04 10.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' NE2' ' A' ' 23' ' ' GLN . 59.5 t -51.0 -54.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.22 -34.03 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 7.9 m-20 -76.19 -39.87 53.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.88 -7.26 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 44' ' ' PRO . 1.8 mt -52.36 -58.67 10.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.651 0.739 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' N ' HG22 ' A' ' 43' ' ' ILE . 53.7 Cg_endo -69.73 -39.34 6.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 29.4 m-85 -68.94 -3.16 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' SER . 51.3 m -116.54 -36.94 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 72.1 p -36.34 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . 26.7 p -73.64 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -42.38 89.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.82 ' CE3' HD12 ' A' ' 53' ' ' LEU . 72.5 t-105 -52.87 -36.32 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -25.05 67.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.51 -32.3 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.82 HD12 ' CE3' ' A' ' 50' ' ' TRP . 14.4 mt -51.42 158.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLU . 42.0 mtt85 -105.16 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ARG . 36.6 tt0 -36.28 -46.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -55.69 -54.37 45.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.591 ' CB ' HD22 ' A' ' 53' ' ' LEU . 5.8 mt-10 -55.57 -52.83 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -49.11 -48.65 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.8 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -50.57 -51.56 47.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -58.29 -46.99 85.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -60.24 -42.46 95.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.19 -56.05 26.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 9.3 ptp -56.16 -31.46 63.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 64' ' ' MET . . . -68.61 -56.61 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -54.8 -53.89 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.13 -41.36 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -57.22 -56.56 20.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -56.66 -43.49 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.88 -48.3 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.98 60.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -66.04 -26.85 67.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 55.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -150.63 138.43 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 3.9 t70 -113.9 97.43 44.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.838 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.52 -154.04 16.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -24.12 30.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.0 p -56.22 129.36 39.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -143.78 157.35 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -173.19 124.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -78.13 83.94 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -123.79 83.0 54.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.15 2.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.264 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -154.29 145.45 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -104.96 170.66 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' PHE . 49.8 p 35.97 49.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.2 p -108.17 137.03 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.13 83.54 0.92 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 152.8 69.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -95.84 103.91 15.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 m -94.18 154.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -63.45 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -69.27 90.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.72 72.65 0.2 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -108.16 145.39 34.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -112.16 110.52 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.52 -133.04 2.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.19 145.79 0.37 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.5 Cg_endo -69.86 2.93 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 17.6 t-20 -34.6 117.7 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -42.97 148.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -125.07 100.13 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.7 150.35 35.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -116.68 87.56 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -89.68 120.95 31.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ALA . 18.9 t-20 -126.63 172.8 9.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -37.07 -48.27 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -56.36 -46.72 79.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 3.5 t80 -59.81 -41.49 91.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 65' ' ' ALA . 4.6 m-85 -63.07 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -74.34 -40.25 62.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 HG13 ' A' ' 39' ' ' VAL . 55.6 t -68.83 -43.56 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.44 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.6 1.11 17.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -116.44 -24.86 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.765 HD11 ' N ' ' A' ' 39' ' ' VAL . 3.1 mt -40.56 -57.86 2.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 26' ' ' ILE . 53.3 Cg_endo -69.82 -21.31 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -72.41 -31.46 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 36' ' ' VAL . 15.8 mt -82.41 -44.54 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' CG ' HG23 ' A' ' 36' ' ' VAL . 77.5 mtp180 -42.62 -40.6 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -70.08 -40.34 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt-85 -56.8 -42.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 42.33 0.38 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . 83.0 mt -125.23 141.79 39.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.643 0.735 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -124.62 105.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.99 -39.19 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -143.61 173.97 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.765 ' N ' HD11 ' A' ' 26' ' ' ILE . 81.0 t -46.23 -53.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -44.54 -38.27 4.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.9 m-20 -76.26 -37.83 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.34 12.34 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.7 mt -69.22 -58.03 6.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.694 0.759 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 43' ' ' ILE . 53.4 Cg_endo -69.7 -39.16 6.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-85 -64.5 -6.14 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 29' ' ' LEU . 87.5 m -129.53 31.62 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -93.46 -25.64 17.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.4 t -85.03 -33.97 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -44.41 30.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CE3' HD12 ' A' ' 53' ' ' LEU . 62.3 t-105 -58.04 -34.79 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.31 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.52 -33.63 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 57' ' ' GLU . 16.6 mt -52.34 153.77 2.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -96.18 165.57 12.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -50.38 -50.79 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -51.59 -47.77 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.633 ' HB3' HD22 ' A' ' 53' ' ' LEU . 6.1 mm-40 -58.99 -56.06 27.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -49.15 -45.56 43.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -60.58 -49.92 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.08 -51.99 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -58.55 -41.76 86.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.428 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . . . -64.49 -41.81 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.78 -55.07 33.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.6 ptp -57.81 -33.49 68.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . . . -66.72 -55.23 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -56.03 -55.45 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -56.35 -41.7 76.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -58.11 -49.07 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.5 -49.53 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.23 -57.48 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.37 -21.31 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.38 46.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ASP . 8.0 tmtt? -123.91 129.25 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' LYS . 1.7 p-10 -33.57 96.67 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.671 0.748 . . . . 0.0 110.841 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 77' ' ' GLY . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.39 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . -34.2 -70.46 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -40.64 5.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -76.81 -174.98 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -110.35 154.2 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -88.73 93.98 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 144.1 25.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -158.84 147.7 14.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -175.04 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.285 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 85' ' ' VAL . 11.2 p -106.4 38.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.81 134.02 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.7 p -122.64 106.96 11.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -125.37 124.72 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.81 83.56 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 2.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.272 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.2 t -68.38 150.42 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 p -123.17 121.6 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.504 179.98 . . . . . . . . 0 0 . 1 stop_ save_