data_2cs3_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 2cs3 _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 ' 17' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -77.94 157.48 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -87.96 -31.64 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -87.55 -44.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.5 m -80.69 -45.67 16.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.1 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.0 t -77.37 114.22 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 7.7 tm0? -110.17 130.61 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.59 125.55 60.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.08 7.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.0 p -127.87 -37.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 68.7 t -102.11 117.05 62.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -33.37 16.76 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 p -70.89 -43.91 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 22.0 m170 -53.43 112.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -134.98 96.25 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -112.33 123.84 51.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 p -80.51 -173.82 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.52 -54.39 55.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 19.66 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.51 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.28 -40.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.8 -45.15 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 50' ' ' ILE . 50.5 mtp180 -47.49 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -41.06 -31.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 38.7 m -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.9 mt -63.38 -36.9 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -81.62 -44.76 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.09 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.466 ' NE2' HG13 ' A' ' 59' ' ' VAL . 30.4 mt-30 -72.74 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.37 95.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.12 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.048 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.28 -26.51 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.75 -151.97 24.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -82.12 154.5 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.3 t -136.36 106.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -80.36 174.66 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 6.1 t -36.39 134.55 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.79 3.38 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -95.96 -29.23 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.45 28.59 8.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -113.28 -15.73 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mtpm? 59.29 48.35 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.36 127.57 88.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.547 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.5 p-90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -125.02 113.24 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ALA . 81.3 m-85 -34.82 140.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -100.68 146.3 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 79' ' ' MET . 18.9 mm-40 -31.69 -42.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -53.56 -72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' THR . 13.6 tt0 -58.64 -48.53 80.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' GLU . 75.5 mt -33.63 -35.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.96 -38.41 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . 54.0 m -55.46 -44.4 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.25 -42.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.851 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.08 162.22 24.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 m -88.6 -33.4 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.21 -43.39 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -79.99 -47.98 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.7 p90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' PHE . 52.6 t -78.09 116.71 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.1 tm0? -112.09 124.41 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -54.04 125.34 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.37 13.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 p -121.2 -37.43 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 45.5 t -106.47 120.97 46.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -40.55 5.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 p -63.15 -45.68 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 17.3 m170 -51.46 109.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.7 mtmt -134.97 86.43 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -100.54 126.68 47.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.1 p -82.68 -173.86 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-30 -58.23 -53.92 61.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.691 0.757 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.77 20.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.75 -29.81 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.53 -46.92 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' ILE . 11.4 mtm105 -45.43 -63.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -42.89 -29.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -86.12 -29.67 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ARG . 80.0 mt -71.19 -35.52 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -81.84 -40.05 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.55 -50.33 65.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' NE2' HG11 ' A' ' 59' ' ' VAL . 28.2 mt-30 -71.47 -65.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.85 101.06 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.35 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -78.61 -40.93 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.07 -147.98 4.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.68 153.17 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 ' NE2' ' A' ' 53' ' ' GLN . 73.7 t -133.7 107.19 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -78.92 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.516 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.77 134.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.75 4.77 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 52.4 p -98.32 -27.68 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.51 31.07 8.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.4 -16.01 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 60.24 49.65 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 m -62.83 127.68 90.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 158.65 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.2 p-90 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.767 0.318 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -138.18 110.54 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 27.3 m-85 -33.75 137.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.1 ptm -106.27 162.37 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 70.9 mm-40 -33.83 -45.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.64 -75.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' ILE . 10.6 tt0 -54.88 -55.15 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' GLU . 66.2 mt -35.34 -37.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -41.29 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m -52.03 -42.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG23 ' CG ' ' A' ' 47' ' ' ARG . 81.1 mt -76.95 -56.92 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -48.69 155.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -88.4 -29.01 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.6 mt -89.26 -43.48 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 m -82.45 -49.47 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' ' HG2' ' A' ' 40' ' ' LYS . 6.2 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.3 t -82.95 136.95 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 32.9 tp60 -132.1 138.2 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.78 128.72 90.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.4 Cg_endo -69.74 -24.43 29.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -97.09 -37.66 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 66.3 t -107.53 115.37 59.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.79 23.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -72.0 -44.45 63.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.495 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 9.5 m170 -49.2 113.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 33.2 mttt -134.95 95.59 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -110.93 125.82 54.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.3 p -83.85 -173.08 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -59.67 -54.03 59.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 19.92 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.88 -35.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -73.52 -45.93 50.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 55.1 mtp180 -48.05 -62.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.01 -31.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.464 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 69.0 m -83.3 -33.96 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 47' ' ' ARG . 77.3 mt -67.9 -37.88 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -76.18 -42.27 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.04 75.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 25.2 mt-30 -72.48 -64.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.81 103.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.27 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.9 m -73.78 -40.69 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -144.47 7.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.06 162.53 14.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.463 HG11 ' NE2' ' A' ' 53' ' ' GLN . 68.8 t -137.38 113.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.3 m-85 -81.74 169.78 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.0 t -36.37 134.87 0.58 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.7 4.76 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -98.93 -29.24 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.34 7.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' LYS . 30.7 mm-40 -122.2 17.12 10.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLU . 49.6 mtpt 33.71 47.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.9 m -60.35 115.75 14.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.465 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 16.3 p-90 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -99.79 114.9 28.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' ALA . 58.3 m-85 -34.21 150.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.0 mtp -111.49 141.64 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' MET . 89.0 mm-40 -34.02 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.82 -54.44 33.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.19 -45.78 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mt -38.02 -36.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.11 -41.55 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.1 m -49.78 -43.97 48.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.43 -45.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.892 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -50.58 147.34 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -76.46 -34.06 58.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.3 mt -81.57 -44.47 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 m -81.69 -45.78 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.6 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -67.99 108.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 16.4 tm0? -107.85 135.02 49.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.71 125.41 82.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -19.95 36.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -103.51 -33.89 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.476 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 53.5 t -108.65 117.97 52.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -40.8 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -63.74 -45.39 90.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -49.36 131.72 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -152.26 108.22 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -123.86 122.85 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.4 p -79.07 -173.94 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.49 -54.13 59.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 20.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.512 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.65 -32.34 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.51 -44.95 20.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 50' ' ' ILE . 96.5 mtt180 -48.27 -61.1 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -42.18 -31.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 37.9 m -84.24 -30.83 25.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -68.54 -37.09 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.54 -43.32 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.1 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 24.5 mt-30 -75.56 -64.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.02 103.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.56 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 m -67.02 -39.55 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.86 -140.42 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.67 158.44 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG11 ' NE2' ' A' ' 53' ' ' GLN . 87.8 t -137.4 104.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -74.52 167.38 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 60' ' ' TYR . 18.6 t -34.22 134.92 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.7 4.75 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -92.15 -30.62 15.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.73 27.64 10.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -117.78 -10.86 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 60.52 52.9 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.8 m -58.1 117.99 23.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -115.0 115.33 26.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' ALA . 24.6 m-85 -34.6 142.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 80' ' ' GLN . 19.5 mmm -105.95 152.0 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' MET . 30.8 mm-40 -33.71 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.97 -68.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 6.4 tt0 -58.92 -52.45 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -37.37 -35.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 -40.27 11.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.5 m -53.85 -45.2 70.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.48 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 47.8 mt -73.4 -58.08 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.868 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.4 t -52.95 160.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -89.13 -27.58 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.8 mt -92.74 -40.81 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -85.48 -34.66 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m170 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 11.0 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.8 t -78.79 115.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.546 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.3 tm0? -113.07 140.93 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.31 123.1 85.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -9.09 25.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 35.9 p -113.06 -36.6 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 58.2 t -108.82 120.39 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.8 7.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -64.26 -45.93 85.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -50.22 127.71 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -151.13 104.96 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -121.09 124.91 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.0 p -82.67 -173.69 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m-30 -57.93 -54.14 58.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.76 19.4 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.82 -32.34 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -76.14 -48.11 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.6 mtt180 -44.08 -65.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -38.03 -34.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.452 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.7 m -80.9 -38.0 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 47' ' ' ARG . 69.9 mt -63.12 -35.67 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -80.63 -45.98 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.43 93.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 27.3 mt-30 -76.67 -62.35 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.74 100.31 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -82.96 -30.89 27.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.47 -153.57 21.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -86.38 148.64 25.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -131.41 107.45 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.515 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.7 m-85 -80.86 170.36 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.482 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 1.8 t -34.56 135.5 0.39 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.81 2.21 3.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -92.95 -29.32 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.96 29.86 8.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -117.06 -19.51 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.1 mtpm? 63.52 50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -63.65 127.36 91.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.8 147.72 63.24 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -119.3 111.82 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ALA . 74.1 m-85 -34.19 136.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.0 ptt? -119.04 162.04 19.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.528 ' NE2' ' H ' ' A' ' 80' ' ' GLN . 2.2 mp0 -33.12 -44.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.81 -75.14 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 83' ' ' ILE . 7.6 tt0 -65.54 -50.09 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLU . 77.3 mt -34.4 -36.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -92.2 -39.0 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' GLU . 95.9 m -53.25 -42.69 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 58.9 mt -80.64 -58.19 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.33 154.27 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -87.5 -35.66 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.78 -47.0 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -78.85 -47.37 16.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.878 0.37 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' PHE . 48.7 t -81.01 140.73 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 37.1 tp60 -133.94 135.41 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 t -64.84 127.44 92.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -11.85 31.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -111.83 -38.77 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 33.9 t -105.8 118.21 55.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -65.18 -46.33 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 16.6 m170 -47.29 113.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -134.96 97.82 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -113.52 122.86 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -81.3 -173.95 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.52 -53.95 60.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.69 20.67 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.5 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.28 -38.81 2.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.52 -48.21 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ILE . 71.8 mtt180 -44.49 -62.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -42.01 -32.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 48.1 m -84.53 -29.65 25.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 47' ' ' ARG . 89.0 mt -69.49 -32.26 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -84.52 -42.01 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.45 69.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 30.4 mt-30 -73.39 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.52 98.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -57.02 -43.51 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.8 m -93.17 -41.04 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.76 -151.38 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.75 160.81 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.415 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.7 t -143.43 105.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 2.4 m-85 -77.8 168.96 19.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 60' ' ' TYR . 11.4 t -33.27 134.84 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.75 4.82 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.419 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -97.37 -32.66 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.87 31.1 6.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 66' ' ' LYS . 26.8 mm-40 -121.03 19.9 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 52.8 mtpt 32.21 46.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.47 118.19 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.74 44.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.433 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.8 p-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -117.41 116.09 26.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' ALA . 33.2 m-85 -36.72 136.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmm -106.11 157.72 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' MET . 14.4 mp0 -34.08 -39.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.89 -70.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -61.12 -47.16 87.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 78' ' ' PHE . 77.6 mt -43.03 -35.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.09 -40.78 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.9 m -53.32 -43.23 67.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 25.9 mt -80.08 -58.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' CYS . 26.8 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' CYS . 49.6 t -38.06 157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -85.88 -29.72 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.8 -45.93 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 m -79.95 -37.65 34.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 3.4 p90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.923 0.392 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.5 t -74.69 114.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 3.0 tm0? -110.94 130.56 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -57.91 124.44 69.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.92 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 p -122.68 -41.11 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.508 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 56.0 t -104.11 121.68 46.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -39.04 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -64.47 -45.15 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 18.0 m170 -53.8 108.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 40.0 mtmt -134.99 96.91 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -109.78 130.45 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.7 p -84.64 -174.69 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.603 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.55 -53.88 60.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 21.3 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.379 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.506 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -36.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.74 -44.29 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 50' ' ' ILE . 48.9 mtm180 -47.9 -63.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -40.44 -29.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -87.34 -34.85 18.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.5 mt -64.94 -34.1 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -83.37 -43.46 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.96 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' NE2' HG12 ' A' ' 59' ' ' VAL . 29.7 mt-30 -71.03 -61.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.45 98.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.15 -45.91 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -92.7 -33.95 14.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.87 -149.99 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.23 150.55 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.481 HG12 ' NE2' ' A' ' 53' ' ' GLN . 69.2 t -134.02 110.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.5 m-85 -81.44 172.26 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.17 134.69 0.37 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.81 4.05 2.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.2 p -97.4 -30.1 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.89 30.7 7.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -114.39 -17.04 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 61.65 46.59 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.26 126.89 85.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.26 38.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.0 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.86 117.74 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -39.63 136.35 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.4 ttm -100.03 146.15 27.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 79' ' ' MET . 6.2 mp0 -31.11 -41.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.79 -72.93 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.92 -45.32 94.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.8 mt -37.07 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.19 -40.61 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -52.76 -45.15 66.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.3 mt -79.21 -53.56 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -63.58 155.68 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.1 m -85.41 -38.47 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -44.62 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -80.96 -52.55 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 9.7 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.3 t -82.32 113.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.8 tm0? -105.67 121.42 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.27 123.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.74 24.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -111.01 -34.71 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 96.7 t -115.07 120.92 36.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.11 17.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 m -69.19 -44.7 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 31.6 m170 -52.05 112.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -134.97 81.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -96.44 123.32 40.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.4 p -80.16 -174.97 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.4 -54.29 56.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.77 20.83 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.97 -30.01 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.59 -42.27 20.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' ILE . 66.4 mtp180 -51.43 -61.72 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.01 -23.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.457 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 67.0 m -89.3 -35.24 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ALA . 85.4 mt -66.39 -32.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -83.36 -45.13 14.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.05 70.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.468 ' NE2' HG12 ' A' ' 59' ' ' VAL . 29.1 mt-30 -71.57 -57.45 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 93.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -54.49 -41.95 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.7 m -91.92 -38.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.04 -149.82 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.42 171.47 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG12 ' NE2' ' A' ' 53' ' ' GLN . 79.1 t -151.84 107.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.5 m-85 -79.65 172.51 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.7 t -35.71 134.03 0.52 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.9 p -97.28 -27.79 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 26.42 10.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -110.79 -20.35 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 mtpm? 65.39 43.93 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.9 m -54.61 117.8 14.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 142.81 48.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.67 122.19 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 32.1 m-85 -45.72 134.58 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -110.69 163.72 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' MET . 16.4 mm-40 -33.66 -44.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.7 -78.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 5.5 tt0 -54.67 -52.57 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.415 ' CG1' ' HB3' ' A' ' 78' ' ' PHE . 73.5 mt -37.04 -36.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.03 -43.12 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 m -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 79.7 mt -72.57 -59.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 49.0 t -38.46 157.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 m -88.51 -36.59 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mt -84.65 -45.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -79.57 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.7 t -78.57 112.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 5.3 tm0? -107.74 126.22 52.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -58.52 126.3 78.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -11.7 31.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 p -112.95 -38.27 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.502 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 57.8 t -104.41 119.56 53.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.676 0.751 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.9 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -63.41 -44.99 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.46 ' CG ' HG11 ' A' ' 36' ' ' VAL . 17.3 m170 -49.32 110.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 24.8 mttt -135.0 87.7 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -104.09 123.24 46.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -84.11 179.72 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -51.2 -54.57 36.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.5 Cg_endo -69.74 21.41 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.506 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.54 -39.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.28 -43.22 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.2 mtp180 -46.75 -63.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -41.7 -29.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -86.16 -31.31 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 47' ' ' ARG . 84.7 mt -69.55 -30.97 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -86.32 -39.27 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.16 62.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' NE2' HG13 ' A' ' 59' ' ' VAL . 34.5 mt-30 -70.25 -62.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.86 99.28 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.01 80.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.4 m -83.4 -45.59 13.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.01 -150.19 6.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.67 160.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.46 HG13 ' NE2' ' A' ' 53' ' ' GLN . 70.1 t -142.22 116.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.3 m-85 -87.67 174.65 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.3 t -33.43 134.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 p -94.67 -30.37 14.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.72 30.24 7.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -114.03 -18.1 11.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 63.01 49.44 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.72 124.6 85.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.81 68.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 11.4 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -98.36 112.44 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' A' ' 77' ' ' ALA . 59.5 m-85 -33.55 114.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.3 tmm? -62.47 132.63 53.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' MET . 42.8 mm-40 -33.06 -40.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.76 -61.59 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.69 -47.05 85.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 82' ' ' GLU . 56.4 mt -36.05 -35.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -42.29 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -53.25 -44.05 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.95 -57.77 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.38 154.98 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.18 -38.53 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 80.3 mt -78.52 -46.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.0 m -78.57 -43.46 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 8.1 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.6 t -83.02 102.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.7 tm0? -100.14 130.89 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.84 122.93 83.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.71 24.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -108.75 -40.04 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.46 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 t -112.1 121.46 39.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.53 22.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 m -70.99 -40.05 72.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.4 m170 -56.99 111.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 16.0 mtmt -135.0 87.28 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.522 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -102.09 128.49 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 5.0 p -85.55 -173.27 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -60.62 -53.72 61.71 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.76 20.7 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.42 -29.28 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.1 -49.87 11.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ILE . 61.6 mtt180 -43.13 -64.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -41.49 -33.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -82.88 -32.4 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' ARG . 83.2 mt -68.05 -34.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -80.44 -44.37 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.09 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' NE2' HG13 ' A' ' 59' ' ' VAL . 31.1 mt-30 -70.48 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.1 95.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -52.99 -45.2 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 p -90.45 -42.53 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.8 -149.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.04 149.53 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG13 ' NE2' ' A' ' 53' ' ' GLN . 92.3 t -132.4 104.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.494 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -78.32 178.26 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.1 t -40.99 134.32 1.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.0 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 p -98.4 -28.2 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 30.06 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.88 -17.53 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.4 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.494 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 24.9 mtmm 61.31 42.21 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.22 120.58 21.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.13 49.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.558 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -118.33 116.63 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 77' ' ' ALA . 56.3 m-85 -34.23 140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.4 mmm -109.15 155.25 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 8.8 mm-40 -34.96 -43.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.41 -70.29 1.02 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.26 -50.95 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -38.86 -36.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.75 -38.05 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.9 m -50.82 -41.77 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 87' ' ' LEU . 36.0 mt -83.57 -60.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ILE . 38.5 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 26.9 t -49.28 150.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.6 m -81.29 -25.63 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -93.41 -41.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 m -85.25 -47.77 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' PHE . 53.9 t -81.14 118.81 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 8.1 tm0? -115.16 134.72 54.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.4 t -63.35 128.87 93.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.9 Cg_endo -69.72 -15.58 37.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.252 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -109.22 -41.03 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t -100.78 119.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m -63.26 -45.22 92.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.418 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 20.9 m170 -49.29 108.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 5.8 mtmp? -134.66 91.37 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -105.26 126.19 51.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.2 p -81.84 -173.43 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.598 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.59 -54.11 59.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.81 19.99 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.57 -30.34 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.37 -46.98 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.6 mtm105 -45.45 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.07 -30.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.448 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.5 m -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.9 -35.38 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.53 -46.57 17.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.61 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 31.0 mt-30 -71.73 -63.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.98 102.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.91 -43.5 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -85.91 -20.96 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.12 -150.37 22.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -82.84 151.33 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG13 ' NE2' ' A' ' 53' ' ' GLN . 93.6 t -128.84 104.1 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -76.36 169.85 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.41 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 11.1 t -36.93 134.94 0.64 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.53 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.72 5.5 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.6 p -100.21 -26.33 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.79 28.89 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.9 mm-40 -118.97 13.94 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 12.5 mtmt 33.99 50.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 m -62.93 117.26 30.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 163.61 37.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.421 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 27.8 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.718 0.295 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -107.07 112.5 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ALA . 89.6 m-85 -33.58 138.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -103.4 161.23 14.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.9 mm-40 -35.02 -44.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.86 -70.64 0.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 tt0 -55.61 -56.47 19.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLU . 71.5 mt -35.3 -35.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -91.9 -41.43 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.2 m -51.3 -42.91 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.409 HG22 ' CG ' ' A' ' 47' ' ' ARG . 38.0 mt -77.81 -53.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t -43.14 159.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -90.19 -29.71 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.74 -42.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.5 -46.1 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 10.4 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.6 t -77.51 113.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.6 tm0? -109.03 125.48 52.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -51.09 126.8 27.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.922 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' CG ' ' CD1' ' A' ' 76' ' ' TRP . 53.7 Cg_endo -69.78 2.38 3.6 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 p -133.43 -39.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 59.2 t -99.91 119.45 59.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.01 2.34 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.1 p -61.07 -41.94 97.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' HG11 ' A' ' 36' ' ' VAL . 24.6 m170 -56.5 109.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 15.8 mtmm -134.93 90.08 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.522 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -103.42 129.24 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -83.79 -176.58 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.591 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 m-30 -55.21 -54.47 50.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.82 20.08 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.516 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.01 -34.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -80.05 -41.2 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 50' ' ' ILE . 58.9 mtp180 -51.0 -61.87 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -40.72 -27.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -86.56 -34.67 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 47' ' ' ARG . 50.7 mt -64.12 -29.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -88.12 -42.27 12.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.59 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' NE2' ' CG1' ' A' ' 59' ' ' VAL . 41.5 mt-30 -66.88 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.73 84.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -50.17 -41.92 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -87.64 -36.11 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.96 -152.2 21.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.44 163.28 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.525 ' CG1' ' NE2' ' A' ' 53' ' ' GLN . 60.1 t -142.61 109.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.454 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.4 m-85 -84.84 -179.53 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 34.0 t -42.52 135.39 2.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.83 4.27 2.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -96.35 -29.97 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.73 25.35 9.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' LYS . 75.9 mm-40 -116.45 15.2 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mtmt 34.69 45.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.8 m -56.85 112.47 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD23 ' CB ' ' A' ' 34' ' ' PRO . 5.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.536 ' CD1' ' CG ' ' A' ' 34' ' ' PRO . 5.5 p-90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -97.04 107.48 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 77' ' ' ALA . 44.7 m-85 -33.55 120.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.7 mtt -79.14 146.18 33.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -34.53 -39.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.15 -56.08 22.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 10.1 tt0 -64.45 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.42 ' CG2' HG21 ' A' ' 50' ' ' ILE . 61.7 mt -50.09 -34.57 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.51 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 m -56.21 -47.13 78.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.8 mt -71.21 -47.9 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.89 158.02 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -86.85 -38.88 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 63.1 mt -82.17 -46.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.17 -44.4 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 19.9 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.92 0.39 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.9 t -74.67 107.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 4.2 tm0? -102.18 127.44 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -56.41 125.88 67.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.69 2.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 p -132.61 -43.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.511 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 11.1 t -100.03 119.57 59.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -40.27 5.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -61.66 -43.3 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.0 m170 -56.09 109.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 4.3 mtmp? -135.01 88.47 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -102.99 125.25 49.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -79.68 -173.22 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -59.03 -53.88 62.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.76 21.07 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.51 -40.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -72.16 -47.7 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ILE . 15.9 mtp-105 -45.29 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -41.67 -32.96 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.4 m -82.47 -34.74 27.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.9 mt -62.44 -35.3 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -81.42 -45.53 15.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.23 78.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' NE2' HG13 ' A' ' 59' ' ' VAL . 27.6 mt-30 -71.4 -60.25 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.63 100.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.73 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.3 p -95.1 -36.18 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.16 -151.1 5.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.61 157.53 21.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.46 HG13 ' NE2' ' A' ' 53' ' ' GLN . 98.4 t -136.53 109.92 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -85.55 174.59 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.0 t -35.19 134.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.8 3.79 2.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -97.78 -29.21 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 30.32 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -114.32 -17.03 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 61.98 48.16 5.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.4 m -60.72 123.91 76.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.45 45.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.732 2.288 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.9 p-90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.38 115.48 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.442 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 73.5 m-85 -38.99 158.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' GLN . 22.4 ptp -129.44 157.37 42.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.6 mp0 -32.87 -43.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -75.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -46.58 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' CG1' ' HB3' ' A' ' 78' ' ' PHE . 69.1 mt -41.21 -37.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -41.11 11.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 96.1 m -53.01 -40.96 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.441 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 64.3 mt -76.28 -54.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -49.17 153.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.83 -36.08 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.8 mt -81.75 -46.42 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.5 m -79.41 -32.57 42.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.6 m170 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 32' ' ' GLN . 24.7 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' PHE . 58.0 t -85.62 116.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.494 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 6.2 tm0? -115.24 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.8 t -56.01 125.93 64.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.27 18.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 p -119.77 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 21.6 t -101.02 119.34 58.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.05 9.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -66.52 -45.08 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.3 m170 -52.29 111.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.86 95.35 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -110.33 123.48 49.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.4 p -81.93 -178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.18 -54.55 43.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.74 21.9 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.35 -34.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -75.42 -48.22 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 50' ' ' ILE . 49.4 mtm180 -42.01 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -40.32 -33.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.47 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 50.9 m -81.51 -34.95 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -64.58 -34.17 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -83.19 -45.15 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 23.2 mt-30 -78.33 -59.89 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.07 101.52 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.43 97.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 t -94.62 -28.82 15.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.19 -151.5 22.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -80.49 165.2 22.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG12 ' NE2' ' A' ' 53' ' ' GLN . 90.9 t -145.03 105.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -79.65 171.47 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' TYR . 4.7 t -36.37 134.51 0.59 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.521 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 4.98 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.3 p -98.07 -28.58 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.98 30.21 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.27 -17.25 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 63.72 48.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.73 121.69 76.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.68 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -109.23 113.51 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' ALA . 88.0 m-85 -37.18 139.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 80' ' ' GLN . 11.5 ptp -105.36 149.13 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.8 tp-100 -32.07 -40.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -52.83 -73.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.5 tp10 -60.51 -49.51 77.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' GLU . 63.8 mt -33.38 -37.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -89.43 -39.46 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' GLU . 53.0 m -53.42 -42.67 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 HG23 ' CG ' ' A' ' 47' ' ' ARG . 68.9 mt -75.18 -55.42 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 37.5 t -42.35 154.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -84.26 -32.84 24.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 89.0 mt -87.41 -47.03 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.4 m -79.92 -46.9 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.3 t -85.41 148.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 46.2 tp60 -140.66 145.5 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -73.39 130.31 84.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.78 24.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -119.66 -40.9 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.7 t -101.28 115.15 65.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -42.79 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 86.1 p -59.8 -34.76 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.9 m170 -60.14 108.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 28.8 mttt -130.08 98.85 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 2.0 m-85 -113.01 118.75 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -78.36 -178.42 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.07 -54.52 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.669 0.747 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.77 21.87 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -39.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -73.56 -42.8 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 51.7 mtp180 -47.1 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -43.81 -30.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 59.8 m -82.71 -34.56 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ALA . 82.5 mt -65.29 -38.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -80.25 -43.91 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.9 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 28.2 mt-30 -71.87 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.96 94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -56.11 -45.68 79.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -82.62 -38.37 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.18 12.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.59 170.9 15.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.478 HG11 ' NE2' ' A' ' 53' ' ' GLN . 95.1 t -151.19 105.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -78.35 173.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 10.0 t -35.74 134.58 0.52 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.2 Cg_endo -69.81 3.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 p -94.2 -29.27 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.23 29.84 8.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -116.43 -13.6 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 60.96 46.9 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.3 m -58.56 121.14 50.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.95 69.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 14.8 p-90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.22 130.57 52.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -49.7 145.59 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.4 ttm -102.0 145.9 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 79' ' ' MET . 23.5 mp0 -33.6 -45.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.05 -69.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ILE . 9.8 tt0 -55.56 -51.8 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLU . 69.3 mt -35.44 -37.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -41.69 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.3 m -51.84 -42.18 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.1 mt -76.68 -47.29 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.6 t -54.17 155.62 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -86.13 -36.51 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -81.38 -45.07 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.57 -45.89 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 6.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -85.12 114.66 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 tm0? -110.76 124.73 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -55.03 128.11 64.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.23 35.91 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 p -110.89 -38.46 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 48.4 t -103.62 120.03 52.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -43.4 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 14.7 m170 -48.17 109.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mtmp? -134.99 83.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -98.25 124.19 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.7 p -81.97 178.8 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -51.89 -54.6 38.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.78 21.55 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.513 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.4 m -131.93 -36.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.58 -42.48 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ILE . 57.8 mtp180 -50.74 -62.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -38.39 -29.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ARG . 5.5 m -87.04 -37.61 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.6 mt -63.39 -31.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -83.97 -45.14 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.1 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' NE2' HG11 ' A' ' 59' ' ' VAL . 32.9 mt-30 -69.46 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.81 92.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -51.47 -42.37 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.0 m -91.75 -40.12 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.22 -150.44 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.42 ' C ' HG22 ' A' ' 59' ' ' VAL . 16.3 pt-20 -82.29 159.11 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG11 ' NE2' ' A' ' 53' ' ' GLN . 76.9 t -141.66 108.48 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.36 168.86 18.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.6 t -34.17 134.6 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.79 4.56 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.1 p -98.06 -29.03 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.22 7.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.65 -16.85 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 63.45 48.46 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 m -63.52 121.24 69.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.01 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.62 115.3 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -44.99 143.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -119.5 159.39 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' MET . 77.6 mm-40 -31.21 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.69 -80.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' THR . 5.1 tt0 -62.08 -52.12 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' GLU . 66.3 mt -32.16 -36.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.07 -41.12 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' GLU . 49.6 m -55.57 -42.9 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 82.2 mt -76.32 -52.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.49 157.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -91.46 -25.95 19.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.72 -42.04 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 m -88.13 -36.75 16.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 p90 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' PHE . 60.6 t -84.59 144.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 38.8 tp60 -137.65 135.47 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.72 129.86 93.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.24 29.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.2 p -96.4 -36.69 10.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.471 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 48.8 t -108.13 116.77 56.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -34.85 13.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.8 p -67.41 -46.13 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.5 m170 -45.79 111.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -132.61 93.98 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -110.28 125.8 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -84.92 -175.69 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.598 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -55.62 -54.19 54.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.8 20.96 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.22 -44.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.47 -44.99 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ILE . 55.0 mtp180 -46.76 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -41.14 -32.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.446 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.9 m -80.77 -35.44 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' ARG . 75.7 mt -60.96 -35.66 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -82.86 -42.78 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.94 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.8 mt-30 -73.26 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.64 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -56.7 -40.13 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -88.48 -39.73 13.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.1 -151.6 8.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -87.29 155.4 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 50' ' ' ILE . 86.2 t -135.02 113.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 66' ' ' LYS . 2.3 m-85 -81.2 174.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.554 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.8 t -38.02 135.15 0.84 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.77 4.38 2.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 p -95.62 -32.45 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.95 6.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 66' ' ' LYS . 79.6 mm-40 -121.74 19.9 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.493 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 43.3 mtpt 32.09 48.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.07 114.7 12.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 161.57 45.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.0 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.1 119.02 33.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 86' ' ' ILE . 38.0 m-85 -38.87 148.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmt -124.43 161.67 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 79' ' ' MET . 1.7 mp0 -32.52 -41.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.7 -70.05 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 tp10 -60.78 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.1 mt -37.62 -37.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.74 -41.49 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.5 m -53.97 -45.72 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 28.4 mt -76.23 -45.48 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.39 159.15 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 m -88.64 -36.85 16.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 70.2 mt -84.37 -44.93 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 38.4 m -81.38 -23.41 37.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 34.8 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.2 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' PHE . 42.4 t -82.16 113.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.3 tm0? -109.7 123.36 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -49.79 127.44 19.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.81 4.08 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -133.35 -40.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 57.4 t -99.04 118.71 62.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 p -60.99 -39.18 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.518 ' CG ' HG12 ' A' ' 36' ' ' VAL . 19.8 m170 -58.99 107.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.6 mtmt -133.04 86.55 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -99.15 128.81 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.5 p -85.21 -176.45 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -56.52 -54.18 56.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.81 20.46 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.39 -38.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -74.07 -45.51 48.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CG ' HG23 ' A' ' 86' ' ' ILE . 13.0 mtp-105 -48.28 -58.52 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.26 -33.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 m -82.96 -29.98 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 89.9 mt -68.07 -36.91 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -80.66 -42.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.35 76.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 59' ' ' VAL . 32.2 mt-30 -73.64 -60.77 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.14 105.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.42 93.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -79.43 -35.71 40.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.98 -149.15 19.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.14 152.14 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG12 ' NE2' ' A' ' 53' ' ' GLN . 82.2 t -131.15 109.9 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.61 173.48 12.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 7.4 t -37.65 134.65 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.79 4.88 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -98.92 -27.99 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.27 7.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -115.65 -16.57 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 63.27 50.32 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.05 119.54 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.27 24.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.712 0.291 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.27 124.95 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -45.52 133.33 7.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -97.0 146.1 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 79' ' ' MET . 2.1 mp0 -32.18 -44.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.44 -63.54 5.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.95 -48.06 75.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -38.2 -36.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.37 -42.18 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 m -49.47 -42.59 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 HG23 ' CG ' ' A' ' 47' ' ' ARG . 52.4 mt -75.84 -60.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' ILE . 40.5 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 t -74.08 145.39 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 m -80.27 -29.1 38.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.1 mt -87.08 -41.17 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 m -90.45 -49.8 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.959 0.409 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 41' ' ' PHE . 37.5 t -81.72 122.42 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.5 tm0? -119.33 137.75 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -62.02 126.5 87.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.4 p -126.8 -43.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.51 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.2 t -99.58 121.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -43.11 2.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 81.9 p -60.36 -44.8 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' N ' ' HG ' ' A' ' 38' ' ' SER . 20.4 m170 -53.78 108.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.4 mtmm -135.0 100.02 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -111.54 130.31 55.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 5.2 p -85.05 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-85 -60.58 -53.91 59.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.52 -39.39 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -72.45 -38.81 68.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 59.5 mtp180 -53.86 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -42.19 -27.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 13.7 m -86.61 -32.45 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.2 mt -69.49 -29.15 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -84.52 -47.6 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.95 75.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' NE2' HG13 ' A' ' 59' ' ' VAL . 33.6 mt-30 -70.26 -64.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.43 101.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.18 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -83.74 -41.96 17.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.33 -148.37 5.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.04 163.41 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 ' NE2' ' A' ' 53' ' ' GLN . 68.0 t -143.85 108.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.8 172.69 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.5 t -33.89 134.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 p -94.32 -28.18 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.07 31.07 7.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.1 -15.2 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 mtpm? 62.51 48.76 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.42 120.19 60.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.3 38.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.2 p-90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.755 0.312 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -92.85 115.14 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 78.9 m-85 -33.3 138.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' GLN . 12.9 mtt -94.15 150.01 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.5 mm-40 -36.13 -38.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.88 -57.27 11.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 8.1 tt0 -62.3 -49.51 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.6 mt -40.5 -35.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.07 -41.84 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 m -51.14 -43.58 61.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.6 mt -76.49 -53.38 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.42 162.11 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.2 m -90.78 -43.15 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 80.2 mt -80.06 -41.36 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 37.9 m -86.15 -38.27 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.938 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 21' ' ' CYS . 3.6 p-80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 8.6 p90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.88 0.371 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' PHE . 45.7 t -73.62 118.88 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.5 tm0? -114.93 143.49 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.58 126.27 92.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -23.93 30.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 p -99.56 -30.24 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 33.0 t -113.15 117.21 46.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.673 0.749 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.42 4.26 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.4 p -62.78 -45.73 91.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.64 131.82 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 7.4 mtmp? -152.82 105.53 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -120.34 126.1 49.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.1 p -80.51 -173.66 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.6 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -58.67 -53.74 63.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.74 20.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.21 -39.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -73.17 -39.91 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 50' ' ' ILE . 66.0 mtp180 -54.28 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -41.89 -26.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 3.6 m -86.09 -33.87 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' ARG . 89.3 mt -65.48 -36.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -78.17 -44.46 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -50.87 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.475 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.2 mt-30 -73.66 -65.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.94 106.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . . . -66.67 -42.22 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.6 m -70.56 -37.08 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.88 -147.21 21.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.6 154.39 21.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG13 ' NE2' ' A' ' 53' ' ' GLN . 94.7 t -134.27 105.91 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -74.06 164.81 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' TYR . 22.8 t -34.09 135.49 0.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.79 5.55 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 p -94.8 -28.94 15.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.46 32.01 8.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -117.22 -12.1 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 62.57 45.48 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.0 m -54.78 119.24 20.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.55 63.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.735 0.302 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.61 114.73 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -37.89 148.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.5 ptt? -119.87 156.72 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 79' ' ' MET . 22.0 mm100 -32.5 -45.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.87 -73.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -49.83 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -36.44 -36.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.46 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 84.8 m -54.51 -43.57 71.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.25 -52.71 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -80.49 101.09 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -131.79 125.2 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.66 165.99 10.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -55.82 -45.43 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -76.27 108.7 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.48 -168.44 14.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -69.55 129.36 91.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.5 mtt -133.59 165.66 24.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.37 174.44 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.47 86.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -142.77 144.19 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.32 139.42 6.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -47.63 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -93.8 150.97 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.8 m -145.37 175.59 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -77.94 157.48 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -87.96 -31.64 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -87.55 -44.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.5 m -80.69 -45.67 16.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 63.26 39.08 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -125.52 -64.34 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.63 163.06 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 30' ' ' PHE . 42.8 mt -122.94 122.4 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -42.69 -46.93 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 29' ' ' HIS . 2.6 t70 -174.9 163.52 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 8.8 t -34.65 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 27' ' ' ASP . 12.1 m-70 -33.61 -37.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.1 p90 -45.06 147.19 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.0 t -77.37 114.22 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 7.7 tm0? -110.17 130.61 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.59 125.55 60.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.08 7.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.0 p -127.87 -37.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 68.7 t -102.11 117.05 62.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -33.37 16.76 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 p -70.89 -43.91 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 22.0 m170 -53.43 112.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -134.98 96.25 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -112.33 123.84 51.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.8 p -80.51 -173.82 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.52 -54.39 55.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 19.66 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.51 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.28 -40.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.8 -45.15 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 50' ' ' ILE . 50.5 mtp180 -47.49 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -41.06 -31.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 38.7 m -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.9 mt -63.38 -36.9 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -81.62 -44.76 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.09 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.466 ' NE2' HG13 ' A' ' 59' ' ' VAL . 30.4 mt-30 -72.74 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.37 95.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.12 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.048 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.28 -26.51 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.75 -151.97 24.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -82.12 154.5 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.3 t -136.36 106.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -80.36 174.66 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 6.1 t -36.39 134.55 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.79 3.38 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -95.96 -29.23 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.45 28.59 8.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -113.28 -15.73 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mtpm? 59.29 48.35 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.36 127.57 88.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.67 139.28 56.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -49.8 121.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.53 2.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 m -82.91 151.81 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -98.43 39.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 92.1 t -138.65 138.29 21.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.75 140.74 43.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.547 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.5 p-90 -82.12 127.84 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -125.02 113.24 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ALA . 81.3 m-85 -34.82 140.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -100.68 146.3 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 79' ' ' MET . 18.9 mm-40 -31.69 -42.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -53.56 -72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' THR . 13.6 tt0 -58.64 -48.53 80.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' GLU . 75.5 mt -33.63 -35.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.96 -38.41 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . 54.0 m -55.46 -44.4 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.25 -42.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.91 -55.17 33.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 61.57 35.74 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.92 93.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -34.43 14.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -76.36 133.03 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.9 m -98.95 41.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.525 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -66.1 155.53 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -171.51 142.51 1.65 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.32 -151.17 23.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -91.2 157.05 17.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 p -108.21 -46.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.69 -162.49 12.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.6 m -153.64 155.45 31.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.05 54.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 47.9 tpp -82.66 86.61 6.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.02 106.5 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.09 -49.61 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.2 t -73.2 159.28 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.67 161.05 28.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.42 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 mt -147.07 169.09 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -164.3 164.6 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.08 162.22 24.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 m -88.6 -33.4 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.21 -43.39 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -79.99 -47.98 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 64.16 39.41 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -125.79 -75.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -150.35 161.73 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 30' ' ' PHE . 15.7 mt -129.83 112.2 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' LEU . 4.3 pt-20 -34.44 -59.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -175.08 175.22 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 29' ' ' HIS . 10.0 t -37.6 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' ASP . 13.8 m80 -39.37 -39.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.7 p90 -48.48 150.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' PHE . 52.6 t -78.09 116.71 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.1 tm0? -112.09 124.41 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -54.04 125.34 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.37 13.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 p -121.2 -37.43 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 45.5 t -106.47 120.97 46.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -40.55 5.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 p -63.15 -45.68 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 17.3 m170 -51.46 109.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.7 mtmt -134.97 86.43 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -100.54 126.68 47.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.1 p -82.68 -173.86 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-30 -58.23 -53.92 61.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.691 0.757 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.77 20.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.75 -29.81 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.53 -46.92 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' ILE . 11.4 mtm105 -45.43 -63.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -42.89 -29.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -86.12 -29.67 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ARG . 80.0 mt -71.19 -35.52 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -81.84 -40.05 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.55 -50.33 65.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' NE2' HG11 ' A' ' 59' ' ' VAL . 28.2 mt-30 -71.47 -65.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.85 101.06 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.35 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -78.61 -40.93 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.07 -147.98 4.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.68 153.17 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 ' NE2' ' A' ' 53' ' ' GLN . 73.7 t -133.7 107.19 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -78.92 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.516 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.77 134.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.75 4.77 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 52.4 p -98.32 -27.68 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.51 31.07 8.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.4 -16.01 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 60.24 49.65 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 m -62.83 127.68 90.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 158.65 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.69 139.13 51.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.1 118.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.79 3.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.6 m -82.06 145.46 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -91.42 34.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.5 t -135.99 136.24 22.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.679 0.752 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.71 33.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.2 p-90 -73.37 143.42 46.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -138.18 110.54 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 27.3 m-85 -33.75 137.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.1 ptm -106.27 162.37 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 70.9 mm-40 -33.83 -45.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.64 -75.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' ILE . 10.6 tt0 -54.88 -55.15 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' GLU . 66.2 mt -35.34 -37.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -41.29 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m -52.03 -42.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG23 ' CG ' ' A' ' 47' ' ' ARG . 81.1 mt -76.95 -56.92 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.9 mt -40.59 -53.13 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -86.58 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.23 92.54 2.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.4 45.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.9 m -102.16 156.18 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.4 t -52.89 146.36 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.47 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -137.65 140.15 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m 45.49 43.43 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.29 -98.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -145.23 140.0 27.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -114.0 94.56 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -105.44 -49.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 38.5 p -37.62 145.79 0.28 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.78 55.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -76.14 -44.53 37.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.22 141.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.53 95.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -164.04 172.2 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.77 92.5 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.1 5.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -44.57 108.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.2 p -128.93 126.0 38.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -48.69 155.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -88.4 -29.01 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.6 mt -89.26 -43.48 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 m -82.45 -49.47 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 66.24 43.61 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.16 -61.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.94 159.36 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' GLU . 38.2 mt -123.38 116.24 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.3 mt-10 -36.31 -64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.1 t70 -169.95 173.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 27' ' ' ASP . 63.9 p -29.41 -38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 27' ' ' ASP . 32.7 m170 -31.09 -44.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' ' HG2' ' A' ' 40' ' ' LYS . 6.2 p90 -48.55 151.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.3 t -82.95 136.95 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 32.9 tp60 -132.1 138.2 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.78 128.72 90.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.4 Cg_endo -69.74 -24.43 29.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -97.09 -37.66 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 66.3 t -107.53 115.37 59.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.79 23.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -72.0 -44.45 63.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.495 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 9.5 m170 -49.2 113.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 33.2 mttt -134.95 95.59 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -110.93 125.82 54.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.3 p -83.85 -173.08 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -59.67 -54.03 59.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 19.92 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.88 -35.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -73.52 -45.93 50.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 55.1 mtp180 -48.05 -62.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.01 -31.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.464 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 69.0 m -83.3 -33.96 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 47' ' ' ARG . 77.3 mt -67.9 -37.88 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -76.18 -42.27 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.04 75.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 25.2 mt-30 -72.48 -64.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.81 103.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.27 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.9 m -73.78 -40.69 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -144.47 7.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.06 162.53 14.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.463 HG11 ' NE2' ' A' ' 53' ' ' GLN . 68.8 t -137.38 113.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.3 m-85 -81.74 169.78 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.0 t -36.37 134.87 0.58 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.7 4.76 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -98.93 -29.24 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.34 7.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' LYS . 30.7 mm-40 -122.2 17.12 10.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLU . 49.6 mtpt 33.71 47.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.9 m -60.35 115.75 14.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 72' ' ' SER . 6.4 mt -57.51 158.64 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 71' ' ' GLY . 14.5 p -71.63 -30.26 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -118.1 -4.07 14.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 31.7 m -129.26 149.18 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.831 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.04 32.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 86.3 t -129.54 136.86 29.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.543 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.74 109.2 2.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.465 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 16.3 p-90 -42.26 104.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -99.79 114.9 28.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' ALA . 58.3 m-85 -34.21 150.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.0 mtp -111.49 141.64 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' MET . 89.0 mm-40 -34.02 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.82 -54.44 33.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.19 -45.78 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mt -38.02 -36.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.11 -41.55 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.1 m -49.78 -43.97 48.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.43 -45.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.51 -43.36 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -70.24 -47.12 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.52 -161.93 41.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.24 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.5 p -68.17 167.57 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.5 m -105.09 108.55 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -51.21 130.99 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 m -143.26 132.98 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.09 97.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -119.88 126.57 51.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -86.88 -58.7 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.39 -173.84 55.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 p -132.46 84.36 51.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.74 7.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.38 35.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 86.42 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -139.25 149.3 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 m -57.76 -51.57 69.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.25 -177.11 45.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -27.33 26.36 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.68 168.15 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 p -174.8 144.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -50.58 147.34 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -76.46 -34.06 58.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.3 mt -81.57 -44.47 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 m -81.69 -45.78 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 63.68 40.46 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.73 -74.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -149.43 -179.27 6.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 30' ' ' PHE . 19.2 mt -146.24 112.39 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' LEU . 11.3 pt-20 -34.47 -51.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' HIS . 7.2 t0 -175.02 160.21 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.572 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.6 t -34.62 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.4 m-70 -37.19 -39.08 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 28' ' ' THR . 21.6 p90 -41.06 142.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -67.99 108.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 16.4 tm0? -107.85 135.02 49.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.71 125.41 82.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -19.95 36.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -103.51 -33.89 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.476 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 53.5 t -108.65 117.97 52.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -40.8 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -63.74 -45.39 90.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -49.36 131.72 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -152.26 108.22 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -123.86 122.85 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.4 p -79.07 -173.94 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.49 -54.13 59.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 20.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.512 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.65 -32.34 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.51 -44.95 20.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 50' ' ' ILE . 96.5 mtt180 -48.27 -61.1 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -42.18 -31.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 37.9 m -84.24 -30.83 25.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -68.54 -37.09 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.54 -43.32 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.1 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 24.5 mt-30 -75.56 -64.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.02 103.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.56 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 m -67.02 -39.55 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.86 -140.42 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.67 158.44 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG11 ' NE2' ' A' ' 53' ' ' GLN . 87.8 t -137.4 104.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -74.52 167.38 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 60' ' ' TYR . 18.6 t -34.22 134.92 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.7 4.75 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -92.15 -30.62 15.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.73 27.64 10.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -117.78 -10.86 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 60.52 52.9 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.8 m -58.1 117.99 23.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 7.5 mt -36.06 154.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' LEU . 62.1 t -32.43 -66.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.24 47.13 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -141.75 157.28 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 15.11 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' ' CG ' ' A' ' 69' ' ' LEU . 87.5 t -126.6 125.57 24.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.8 167.95 23.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -90.86 123.16 34.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -115.0 115.33 26.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' ALA . 24.6 m-85 -34.6 142.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 80' ' ' GLN . 19.5 mmm -105.95 152.0 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' MET . 30.8 mm-40 -33.71 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.97 -68.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 6.4 tt0 -58.92 -52.45 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -37.37 -35.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 -40.27 11.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.5 m -53.85 -45.2 70.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.48 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 47.8 mt -73.4 -58.08 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.7 mt -44.67 -49.58 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 m -68.42 -54.61 15.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.13 -156.61 53.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 8.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.1 p -75.93 147.58 38.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.9 m -123.6 148.89 45.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.452 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -150.09 138.92 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -133.12 102.94 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.07 -153.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -98.43 82.41 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m -81.22 114.19 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.98 113.96 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 p -49.51 142.17 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.92 11.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.5 mtt -139.85 108.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.05 145.12 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -97.52 -59.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -165.45 160.76 18.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.4 101.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -24.01 30.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 30' ' ' PHE . 1.2 pt? -117.0 154.61 30.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.4 p -143.0 143.63 31.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.4 t -52.95 160.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -89.13 -27.58 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.8 mt -92.74 -40.81 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -85.48 -34.66 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m170 62.67 41.67 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.96 178.73 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 139.74 39.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.36 136.46 43.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -45.21 -61.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' HIS . 6.5 m-20 -173.24 169.31 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 27' ' ' ASP . 12.3 t -32.94 -34.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' ASP . 87.1 m-70 -32.85 -46.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 16' ' ' LEU . 11.0 p90 -41.85 148.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.8 t -78.79 115.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.546 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.3 tm0? -113.07 140.93 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.31 123.1 85.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -9.09 25.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 35.9 p -113.06 -36.6 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 58.2 t -108.82 120.39 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.8 7.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -64.26 -45.93 85.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -50.22 127.71 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -151.13 104.96 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -121.09 124.91 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.0 p -82.67 -173.69 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m-30 -57.93 -54.14 58.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.76 19.4 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.82 -32.34 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -76.14 -48.11 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.6 mtt180 -44.08 -65.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -38.03 -34.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.452 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.7 m -80.9 -38.0 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 47' ' ' ARG . 69.9 mt -63.12 -35.67 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -80.63 -45.98 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.43 93.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 27.3 mt-30 -76.67 -62.35 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.74 100.31 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -82.96 -30.89 27.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.47 -153.57 21.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -86.38 148.64 25.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -131.41 107.45 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.515 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.7 m-85 -80.86 170.36 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.482 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 1.8 t -34.56 135.5 0.39 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.81 2.21 3.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -92.95 -29.32 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.96 29.86 8.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -117.06 -19.51 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.1 mtpm? 63.52 50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -63.65 127.36 91.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.8 147.72 63.24 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 72' ' ' SER . 3.5 mt -37.7 157.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 HG11 ' N ' ' A' ' 71' ' ' GLY . 8.5 p -38.58 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.485 ' N ' HG11 ' A' ' 70' ' ' VAL . . . -152.97 -30.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.447 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 17.8 m -65.0 138.91 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.49 47.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -149.95 125.29 4.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 109.34 2.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 -46.02 123.75 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -119.3 111.82 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ALA . 74.1 m-85 -34.19 136.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.0 ptt? -119.04 162.04 19.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.528 ' NE2' ' H ' ' A' ' 80' ' ' GLN . 2.2 mp0 -33.12 -44.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.81 -75.14 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 83' ' ' ILE . 7.6 tt0 -65.54 -50.09 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLU . 77.3 mt -34.4 -36.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -92.2 -39.0 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' GLU . 95.9 m -53.25 -42.69 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 58.9 mt -80.64 -58.19 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt -41.65 -51.19 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 38.26 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.78 178.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.75 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' PRO . 57.7 p 34.35 42.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.8 p -119.05 41.96 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.499 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -95.92 -49.61 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -91.39 103.79 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.99 157.82 31.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -85.08 -61.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -84.47 123.27 30.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.17 -100.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -127.99 77.57 76.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.99 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 ptm -74.02 129.22 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.13 161.09 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -43.45 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 t 64.2 45.41 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.94 -74.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -33.2 17.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -102.83 138.91 39.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m -140.59 158.36 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.33 154.27 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -87.5 -35.66 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.78 -47.0 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -78.85 -47.37 16.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 61.8 41.89 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -127.71 -57.58 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.46 168.38 3.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 30' ' ' PHE . 45.6 mt -132.07 117.58 18.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -40.24 -61.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.1 m-20 -169.67 169.67 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 27' ' ' ASP . 74.6 p -30.18 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 27' ' ' ASP . 86.4 m-70 -30.57 -40.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' THR . 14.6 p90 -48.54 149.37 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' PHE . 48.7 t -81.01 140.73 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 37.1 tp60 -133.94 135.41 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.2 t -64.84 127.44 92.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -11.85 31.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -111.83 -38.77 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 33.9 t -105.8 118.21 55.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -65.18 -46.33 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 16.6 m170 -47.29 113.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -134.96 97.82 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -113.52 122.86 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -81.3 -173.95 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.52 -53.95 60.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.69 20.67 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.5 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.28 -38.81 2.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.52 -48.21 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ILE . 71.8 mtt180 -44.49 -62.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -42.01 -32.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 48.1 m -84.53 -29.65 25.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 47' ' ' ARG . 89.0 mt -69.49 -32.26 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -84.52 -42.01 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.45 69.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 30.4 mt-30 -73.39 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.52 98.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -57.02 -43.51 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.8 m -93.17 -41.04 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.76 -151.38 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.75 160.81 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.7 t -143.43 105.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 2.4 m-85 -77.8 168.96 19.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 60' ' ' TYR . 11.4 t -33.27 134.84 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.75 4.82 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.419 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -97.37 -32.66 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.87 31.1 6.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 66' ' ' LYS . 26.8 mm-40 -121.03 19.9 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 52.8 mtpt 32.21 46.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.47 118.19 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.74 44.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.26 140.6 54.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.9 p -46.89 118.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 -43.57 2.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.436 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -87.5 37.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.04 131.27 18.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 131.72 21.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.404 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.433 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.8 p-90 -70.96 123.55 22.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -117.41 116.09 26.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' ALA . 33.2 m-85 -36.72 136.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmm -106.11 157.72 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' MET . 14.4 mp0 -34.08 -39.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.89 -70.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -61.12 -47.16 87.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 78' ' ' PHE . 77.6 mt -43.03 -35.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.09 -40.78 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.9 m -53.32 -43.23 67.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 25.9 mt -80.08 -58.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.66 -57.93 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -80.9 42.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 47' ' ' ARG . . . -81.85 -164.97 34.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.25 35.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.1 t -80.03 87.63 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -160.81 139.36 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.478 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -92.65 42.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -121.32 121.29 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.26 59.35 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -118.89 82.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -87.76 -60.52 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.7 -131.7 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -124.6 81.23 60.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 82.68 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -151.58 164.84 35.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 12' ' ' ASN . . . -81.72 78.81 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' ALA . 8.7 m120 -162.35 120.6 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 p -123.03 104.9 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.77 65.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.4 mt -56.91 125.77 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' CYS . 26.8 p -161.54 132.04 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' CYS . 49.6 t -38.06 157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -85.88 -29.72 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.8 -45.93 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 m -79.95 -37.65 34.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.5 m80 63.75 40.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -135.83 -175.53 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.68 110.64 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.64 136.99 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -42.37 -59.77 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 29' ' ' HIS . 3.7 p-10 -175.42 170.45 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' HIS . 8.9 t -34.07 -37.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' CG ' ' OD2' ' A' ' 27' ' ' ASP . 55.7 m170 -33.97 -46.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 3.4 p90 -37.94 150.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.5 t -74.69 114.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 3.0 tm0? -110.94 130.56 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -57.91 124.44 69.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.92 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 p -122.68 -41.11 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.508 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 56.0 t -104.11 121.68 46.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -39.04 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -64.47 -45.15 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 18.0 m170 -53.8 108.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 40.0 mtmt -134.99 96.91 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -109.78 130.45 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.7 p -84.64 -174.69 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.603 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.55 -53.88 60.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 21.3 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.379 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.506 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -36.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.74 -44.29 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 50' ' ' ILE . 48.9 mtm180 -47.9 -63.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -40.44 -29.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -87.34 -34.85 18.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.5 mt -64.94 -34.1 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -83.37 -43.46 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.96 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' NE2' HG12 ' A' ' 59' ' ' VAL . 29.7 mt-30 -71.03 -61.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.45 98.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.15 -45.91 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -92.7 -33.95 14.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.87 -149.99 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.23 150.55 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.481 HG12 ' NE2' ' A' ' 53' ' ' GLN . 69.2 t -134.02 110.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.5 m-85 -81.44 172.26 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.17 134.69 0.37 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.81 4.05 2.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.2 p -97.4 -30.1 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.89 30.7 7.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -114.39 -17.04 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 61.65 46.59 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.26 126.89 85.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.26 38.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.09 140.86 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 p -47.27 119.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.16 -43.73 2.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 m -76.75 151.6 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -99.94 38.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.48 136.84 20.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.17 22.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.0 p-90 -73.11 126.48 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.86 117.74 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -39.63 136.35 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.4 ttm -100.03 146.15 27.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 79' ' ' MET . 6.2 mp0 -31.11 -41.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.79 -72.93 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.92 -45.32 94.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.8 mt -37.07 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.19 -40.61 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -52.76 -45.15 66.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.3 mt -79.21 -53.56 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.75 -56.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 t -89.05 -63.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.66 64.6 1.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -77.7 98.25 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.3 p -82.67 123.34 29.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -43.91 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -69.38 -47.49 64.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.79 143.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -108.82 140.54 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.62 159.36 27.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -148.66 131.44 7.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -58.28 144.98 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.53 151.39 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -170.18 164.61 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.1 p -139.78 160.61 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.91 175.55 33.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.538 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.31 69.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.0 mt 58.78 42.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -82.56 146.66 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -63.58 155.68 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.1 m -85.41 -38.47 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -44.62 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -80.96 -52.55 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 71.16 39.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -124.24 -65.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.73 145.77 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 30' ' ' PHE . 24.1 mt -102.41 115.87 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.8 pt-20 -35.55 -55.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.1 p-10 -174.04 170.42 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASP . 9.7 t -33.49 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' ASP . 26.0 m170 -34.69 -42.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CG ' HD12 ' A' ' 25' ' ' LEU . 9.7 p90 -44.88 152.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.3 t -82.32 113.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.8 tm0? -105.67 121.42 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.27 123.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.74 24.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -111.01 -34.71 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 96.7 t -115.07 120.92 36.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.11 17.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 m -69.19 -44.7 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 31.6 m170 -52.05 112.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -134.97 81.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -96.44 123.32 40.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.4 p -80.16 -174.97 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.4 -54.29 56.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.77 20.83 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.97 -30.01 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.59 -42.27 20.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' ILE . 66.4 mtp180 -51.43 -61.72 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.01 -23.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.457 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 67.0 m -89.3 -35.24 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ALA . 85.4 mt -66.39 -32.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -83.36 -45.13 14.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.05 70.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' NE2' HG12 ' A' ' 59' ' ' VAL . 29.1 mt-30 -71.57 -57.45 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 93.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -54.49 -41.95 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.7 m -91.92 -38.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.04 -149.82 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.42 171.47 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG12 ' NE2' ' A' ' 53' ' ' GLN . 79.1 t -151.84 107.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.5 m-85 -79.65 172.51 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.7 t -35.71 134.03 0.52 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.9 p -97.28 -27.79 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 26.42 10.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -110.79 -20.35 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 mtpm? 65.39 43.93 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.9 m -54.61 117.8 14.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 142.81 48.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -45.83 131.73 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.55 122.5 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 -40.8 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -86.17 174.75 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -116.5 37.91 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -136.32 130.59 18.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.1 Cg_endo -69.79 122.37 9.04 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -60.28 112.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.67 122.19 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 32.1 m-85 -45.72 134.58 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -110.69 163.72 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' MET . 16.4 mm-40 -33.66 -44.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.7 -78.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 5.5 tt0 -54.67 -52.57 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 ' CG1' ' HB3' ' A' ' 78' ' ' PHE . 73.5 mt -37.04 -36.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.03 -43.12 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 m -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 79.7 mt -72.57 -59.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 mt -43.26 -48.18 6.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.7 t -48.82 -56.25 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . 67.92 -144.8 43.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 89' ' ' GLY . 53.2 Cg_endo -69.78 130.03 18.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.0 m -79.74 46.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m 42.37 43.11 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.492 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -86.43 -50.08 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m 59.63 43.91 15.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.65 66.91 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -114.25 109.06 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.5 p -138.97 134.72 33.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.37 138.87 5.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -148.8 148.34 27.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.6 14.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -64.65 133.57 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.99 -46.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -121.55 130.35 53.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 p -88.17 -35.16 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.34 159.72 52.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 173.39 11.05 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -39.33 115.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -146.4 126.86 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 49.0 t -38.46 157.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 m -88.51 -36.59 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.7 mt -84.65 -45.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -79.57 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 74.14 36.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -126.93 178.38 6.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.84 93.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 30' ' ' PHE . 39.9 mt -41.77 149.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.2 pm0 -68.2 -40.25 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.7 t70 -177.35 155.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.568 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 11.1 t -35.11 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.4 m170 -32.34 -35.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD2' HD12 ' A' ' 25' ' ' LEU . 30.7 p90 -48.4 151.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.7 t -78.57 112.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 5.3 tm0? -107.74 126.22 52.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -58.52 126.3 78.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -11.7 31.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 p -112.95 -38.27 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.502 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 57.8 t -104.41 119.56 53.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.676 0.751 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.9 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -63.41 -44.99 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.46 ' CG ' HG11 ' A' ' 36' ' ' VAL . 17.3 m170 -49.32 110.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 24.8 mttt -135.0 87.7 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -104.09 123.24 46.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -84.11 179.72 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -51.2 -54.57 36.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.5 Cg_endo -69.74 21.41 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.506 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.54 -39.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.28 -43.22 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.2 mtp180 -46.75 -63.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -41.7 -29.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -86.16 -31.31 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 47' ' ' ARG . 84.7 mt -69.55 -30.97 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -86.32 -39.27 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.16 62.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' NE2' HG13 ' A' ' 59' ' ' VAL . 34.5 mt-30 -70.25 -62.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.86 99.28 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.01 80.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.4 m -83.4 -45.59 13.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.01 -150.19 6.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.67 160.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.46 HG13 ' NE2' ' A' ' 53' ' ' GLN . 70.1 t -142.22 116.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.3 m-85 -87.67 174.65 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.3 t -33.43 134.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 p -94.67 -30.37 14.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.72 30.24 7.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -114.03 -18.1 11.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 63.01 49.44 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.72 124.6 85.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.81 68.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.54 141.41 57.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -47.44 118.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.79 -43.79 2.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -76.47 145.8 38.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -93.06 36.18 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 98.2 t -136.25 138.9 28.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 111.181 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.78 144.38 53.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 11.4 p-90 -85.25 105.92 16.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -98.36 112.44 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' A' ' 77' ' ' ALA . 59.5 m-85 -33.55 114.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.3 tmm? -62.47 132.63 53.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' MET . 42.8 mm-40 -33.06 -40.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.76 -61.59 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.69 -47.05 85.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 82' ' ' GLU . 56.4 mt -36.05 -35.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -42.29 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -53.25 -44.05 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.95 -57.77 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 mt -41.28 -42.77 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.8 t -85.17 -54.27 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.19 -175.74 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.24 36.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 t -104.33 126.94 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -118.98 90.12 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.46 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -73.07 147.9 44.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -136.77 136.28 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.01 149.69 19.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 p -56.89 170.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -41.23 147.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -172.02 75.49 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -35.89 143.73 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.16 59.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.13 133.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.63 95.84 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -142.9 174.86 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 t 56.37 42.42 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.43 65.79 2.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -32.1 19.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -113.32 127.08 56.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.4 m -126.32 161.03 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.38 154.98 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.18 -38.53 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 80.3 mt -78.52 -46.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.0 m -78.57 -43.46 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 62.73 43.04 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 48.3 mt-10 -125.16 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 1.3 ptt-85 -174.08 171.37 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 30' ' ' PHE . 33.2 mt -136.99 121.56 18.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -42.93 -54.6 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.7 m-20 -175.11 173.96 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' HIS . 7.3 t -34.12 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' ASP . 86.3 m-70 -33.04 -42.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 8.1 p90 -50.4 158.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.6 t -83.02 102.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.7 tm0? -100.14 130.89 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -65.84 122.93 83.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.71 24.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -108.75 -40.04 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.46 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 t -112.1 121.46 39.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.53 22.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 m -70.99 -40.05 72.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.4 m170 -56.99 111.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 16.0 mtmt -135.0 87.28 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.522 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -102.09 128.49 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 5.0 p -85.55 -173.27 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -60.62 -53.72 61.71 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.76 20.7 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.42 -29.28 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.1 -49.87 11.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ILE . 61.6 mtt180 -43.13 -64.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -41.49 -33.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -82.88 -32.4 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' ARG . 83.2 mt -68.05 -34.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -80.44 -44.37 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.09 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' NE2' HG13 ' A' ' 59' ' ' VAL . 31.1 mt-30 -70.48 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.1 95.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -52.99 -45.2 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 p -90.45 -42.53 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.8 -149.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.04 149.53 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG13 ' NE2' ' A' ' 53' ' ' GLN . 92.3 t -132.4 104.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.494 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -78.32 178.26 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.1 t -40.99 134.32 1.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.0 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 p -98.4 -28.2 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 30.06 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.88 -17.53 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.4 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.494 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 24.9 mtmm 61.31 42.21 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.22 120.58 21.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.13 49.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -46.74 131.52 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.76 121.6 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.4 -39.13 2.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m -87.06 176.27 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -119.31 40.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -140.12 131.37 14.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.751 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 116.85 4.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.558 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 -57.24 122.51 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -118.33 116.63 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 77' ' ' ALA . 56.3 m-85 -34.23 140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.4 mmm -109.15 155.25 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 8.8 mm-40 -34.96 -43.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.41 -70.29 1.02 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.26 -50.95 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -38.86 -36.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.75 -38.05 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.9 m -50.82 -41.77 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 87' ' ' LEU . 36.0 mt -83.57 -60.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ILE . 38.5 mt -36.21 -50.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -66.38 -62.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.39 154.58 12.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.81 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.656 2.237 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.4 p -61.81 118.24 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -46.12 -59.57 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.479 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -66.3 -45.42 80.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -98.7 82.59 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -151.83 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -128.36 108.5 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -107.72 110.71 22.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.89 40.17 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.4 p -110.03 94.14 16.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.21 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 142.09 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 171.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -79.49 46.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 m -81.44 45.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.71 84.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 177.15 5.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.376 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.7 mt -42.47 122.84 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.57 127.28 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 26.9 t -49.28 150.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.6 m -81.29 -25.63 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -93.41 -41.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 m -85.25 -47.77 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 64.04 41.96 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -112.51 -72.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' NH1' ' HG2' ' A' ' 26' ' ' GLU . 7.2 ppt_? -173.58 147.23 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.0 mt -134.91 78.58 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' HG2' ' NH1' ' A' ' 24' ' ' ARG . 4.6 pt-20 -78.69 45.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.18 176.06 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.539 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 15.3 t -111.14 -31.31 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' THR . 6.4 m80 -34.67 -40.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 28' ' ' THR . 30.6 p90 -42.78 147.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' PHE . 53.9 t -81.14 118.81 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 8.1 tm0? -115.16 134.72 54.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.4 t -63.35 128.87 93.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.9 Cg_endo -69.72 -15.58 37.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.252 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -109.22 -41.03 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t -100.78 119.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m -63.26 -45.22 92.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.418 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 20.9 m170 -49.29 108.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 5.8 mtmp? -134.66 91.37 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -105.26 126.19 51.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.2 p -81.84 -173.43 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.598 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.59 -54.11 59.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.81 19.99 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.57 -30.34 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.37 -46.98 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.6 mtm105 -45.45 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.07 -30.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.448 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.5 m -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.9 -35.38 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.53 -46.57 17.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.61 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 31.0 mt-30 -71.73 -63.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.98 102.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.91 -43.5 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -85.91 -20.96 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.12 -150.37 22.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -82.84 151.33 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG13 ' NE2' ' A' ' 53' ' ' GLN . 93.6 t -128.84 104.1 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -76.36 169.85 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 11.1 t -36.93 134.94 0.64 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.53 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.72 5.5 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.6 p -100.21 -26.33 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.79 28.89 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.9 mm-40 -118.97 13.94 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 12.5 mtmt 33.99 50.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 m -62.93 117.26 30.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 163.61 37.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.82 152.37 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 71' ' ' GLY . 6.9 p -71.13 -43.48 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -97.96 20.74 49.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.483 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -161.84 175.6 11.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 35.5 t30 -109.95 38.19 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 99.2 t -132.9 139.06 33.34 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.79 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.421 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 27.8 p-90 -45.68 108.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -107.07 112.5 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ALA . 89.6 m-85 -33.58 138.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -103.4 161.23 14.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.9 mm-40 -35.02 -44.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.86 -70.64 0.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 tt0 -55.61 -56.47 19.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLU . 71.5 mt -35.3 -35.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -91.9 -41.43 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.2 m -51.3 -42.91 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 HG22 ' CG ' ' A' ' 47' ' ' ARG . 38.0 mt -77.81 -53.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.67 -48.45 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m -133.62 77.21 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.8 -94.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.52 19.43 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.23 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -42.49 -56.71 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.9 t -59.35 96.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -76.37 100.98 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -170.8 158.92 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.18 -60.0 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -68.77 164.98 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -84.56 111.59 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.88 -89.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 p -171.54 138.2 1.08 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 88.88 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.2 mtp -123.24 164.31 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.0 106.52 7.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -115.97 -55.47 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 83.4 p -104.97 150.12 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' HA2' ' CD ' ' A' ' 24' ' ' ARG . . . -111.46 63.33 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' C ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 -43.47 2.65 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.8 pp -137.26 162.69 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -154.78 137.51 15.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t -43.14 159.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -90.19 -29.71 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.74 -42.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.5 -46.1 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 75.01 38.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.34 -178.75 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' CD ' ' HA2' ' A' ' 14' ' ' GLY . 50.6 mmt-85 -72.67 92.7 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 30' ' ' PHE . 16.2 mt -41.11 150.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASP . 2.4 pp20? -64.02 -48.8 74.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 4.3 m-20 -172.62 158.43 4.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.513 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.1 t -38.02 -34.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' THR . 12.5 m170 -34.25 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 10.4 p90 -46.22 155.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.6 t -77.51 113.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.6 tm0? -109.03 125.48 52.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -51.09 126.8 27.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.922 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' CG ' ' CD1' ' A' ' 76' ' ' TRP . 53.7 Cg_endo -69.78 2.38 3.6 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 p -133.43 -39.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 59.2 t -99.91 119.45 59.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.01 2.34 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.1 p -61.07 -41.94 97.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' HG11 ' A' ' 36' ' ' VAL . 24.6 m170 -56.5 109.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.519 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 15.8 mtmm -134.93 90.08 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.522 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -103.42 129.24 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.9 p -83.79 -176.58 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.591 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 m-30 -55.21 -54.47 50.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.82 20.08 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.516 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.01 -34.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -80.05 -41.2 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 50' ' ' ILE . 58.9 mtp180 -51.0 -61.87 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -40.72 -27.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -86.56 -34.67 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 47' ' ' ARG . 50.7 mt -64.12 -29.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -88.12 -42.27 12.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.59 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' NE2' ' CG1' ' A' ' 59' ' ' VAL . 41.5 mt-30 -66.88 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.73 84.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -50.17 -41.92 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -87.64 -36.11 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.96 -152.2 21.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.44 163.28 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.525 ' CG1' ' NE2' ' A' ' 53' ' ' GLN . 60.1 t -142.61 109.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -84.84 -179.53 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 34.0 t -42.52 135.39 2.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.83 4.27 2.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -96.35 -29.97 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.73 25.35 9.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' LYS . 75.9 mm-40 -116.45 15.2 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mtmt 34.69 45.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.8 m -56.85 112.47 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 5.4 mt -49.92 165.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' SER . 3.3 p -72.64 128.6 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 37.37 32.49 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 69' ' ' LEU . 50.5 m -117.63 -26.69 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 63.67 29.73 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -143.57 131.96 11.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.78 103.02 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.289 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.536 ' CD1' ' CG ' ' A' ' 34' ' ' PRO . 5.5 p-90 -44.15 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -97.04 107.48 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 77' ' ' ALA . 44.7 m-85 -33.55 120.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.7 mtt -79.14 146.18 33.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -34.53 -39.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.15 -56.08 22.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 10.1 tt0 -64.45 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 ' CG2' HG21 ' A' ' 50' ' ' ILE . 61.7 mt -50.09 -34.57 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.51 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 m -56.21 -47.13 78.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.8 mt -71.21 -47.9 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.23 -56.89 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -134.77 78.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.16 21.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 1.83 4.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -123.27 130.24 52.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.3 p -149.46 121.35 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.461 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 t 51.01 42.11 28.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -134.54 105.73 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.8 99.77 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -113.28 115.68 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -55.73 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.3 -170.9 41.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 p -136.85 133.26 18.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.736 . . . . 0.0 110.851 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 109.79 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.09 84.98 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.86 37.87 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.01 111.93 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -60.43 121.67 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.19 73.68 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -150.44 122.49 8.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -130.09 161.77 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.89 158.02 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -86.85 -38.88 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 63.1 mt -82.17 -46.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.17 -44.4 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.61 39.56 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -122.81 -75.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -153.83 167.74 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 30' ' ' PHE . 41.9 mt -133.88 112.6 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -39.17 -45.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.8 m-20 -176.26 166.46 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.56 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 63.9 p -40.21 -28.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 28' ' ' THR . 19.4 m170 -33.1 -38.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 25' ' ' LEU . 19.9 p90 -43.7 150.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.9 t -74.67 107.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 4.2 tm0? -102.18 127.44 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -56.41 125.88 67.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.69 2.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 p -132.61 -43.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.511 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 11.1 t -100.03 119.57 59.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -40.27 5.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -61.66 -43.3 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.0 m170 -56.09 109.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 4.3 mtmp? -135.01 88.47 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -102.99 125.25 49.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -79.68 -173.22 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -59.03 -53.88 62.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.76 21.07 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.51 -40.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -72.16 -47.7 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ILE . 15.9 mtp-105 -45.29 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -41.67 -32.96 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.4 m -82.47 -34.74 27.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.9 mt -62.44 -35.3 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -81.42 -45.53 15.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.23 78.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' NE2' HG13 ' A' ' 59' ' ' VAL . 27.6 mt-30 -71.4 -60.25 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.63 100.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.73 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.3 p -95.1 -36.18 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.16 -151.1 5.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.61 157.53 21.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.46 HG13 ' NE2' ' A' ' 53' ' ' GLN . 98.4 t -136.53 109.92 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -85.55 174.59 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.0 t -35.19 134.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.8 3.79 2.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -97.78 -29.21 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 30.32 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -114.32 -17.03 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 61.98 48.16 5.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.4 m -60.72 123.91 76.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.45 45.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.732 2.288 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.1 136.37 48.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -44.55 120.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.23 -43.58 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.0 m -76.99 147.51 36.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.35 38.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 84.9 t -138.76 138.57 21.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.73 137.53 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.9 p-90 -77.88 110.51 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.38 115.48 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.442 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 73.5 m-85 -38.99 158.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' GLN . 22.4 ptp -129.44 157.37 42.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.6 mp0 -32.87 -43.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -75.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -46.58 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' CG1' ' HB3' ' A' ' 78' ' ' PHE . 69.1 mt -41.21 -37.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -41.11 11.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 96.1 m -53.01 -40.96 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.441 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 64.3 mt -76.28 -54.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.6 mt -46.08 -56.21 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.28 44.69 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.58 172.65 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.78 0.88 5.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' PRO . 48.8 m -35.3 -61.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' SER . 91.2 p -35.02 -52.07 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -83.04 128.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -120.79 157.91 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.25 125.29 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -118.39 80.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -54.42 -53.23 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.9 125.13 3.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -102.47 96.89 7.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 123.31 9.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 mmt -80.31 143.47 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.79 175.79 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -123.75 114.09 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -101.08 150.34 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.35 81.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.0 mt -150.97 111.29 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -150.69 137.06 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -49.17 153.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.83 -36.08 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.8 mt -81.75 -46.42 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.5 m -79.41 -32.57 42.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.6 m170 62.72 43.07 7.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.55 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm105 -65.35 133.52 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -109.55 128.01 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 51.8 mt-10 -39.53 -31.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 25.9 t0 71.46 25.0 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.0 -34.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -132.09 80.15 1.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 32' ' ' GLN . 24.7 p90 -157.31 148.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' PHE . 58.0 t -85.62 116.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.494 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 6.2 tm0? -115.24 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.8 t -56.01 125.93 64.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.27 18.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 p -119.77 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 21.6 t -101.02 119.34 58.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.05 9.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -66.52 -45.08 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.3 m170 -52.29 111.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.86 95.35 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -110.33 123.48 49.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.4 p -81.93 -178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.18 -54.55 43.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.74 21.9 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.35 -34.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -75.42 -48.22 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 50' ' ' ILE . 49.4 mtm180 -42.01 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -40.32 -33.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.47 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 50.9 m -81.51 -34.95 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -64.58 -34.17 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -83.19 -45.15 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 23.2 mt-30 -78.33 -59.89 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.07 101.52 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.43 97.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 t -94.62 -28.82 15.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.19 -151.5 22.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -80.49 165.2 22.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG12 ' NE2' ' A' ' 53' ' ' GLN . 90.9 t -145.03 105.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -79.65 171.47 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' TYR . 4.7 t -36.37 134.51 0.59 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.521 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 4.98 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.3 p -98.07 -28.58 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.98 30.21 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.27 -17.25 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 63.72 48.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.73 121.69 76.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.68 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -70.66 158.97 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 p -77.24 -39.11 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.43 20.2 45.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -161.36 175.32 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -110.26 36.56 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 89.1 t -129.57 139.47 35.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.76 108.84 2.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -46.59 111.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -109.23 113.51 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' ALA . 88.0 m-85 -37.18 139.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 80' ' ' GLN . 11.5 ptp -105.36 149.13 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.8 tp-100 -32.07 -40.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -52.83 -73.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.5 tp10 -60.51 -49.51 77.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' GLU . 63.8 mt -33.38 -37.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -89.43 -39.46 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' GLU . 53.0 m -53.42 -42.67 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 HG23 ' CG ' ' A' ' 47' ' ' ARG . 68.9 mt -75.18 -55.42 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -41.72 -52.04 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -108.23 39.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.96 112.78 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 94.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.1 p -130.39 145.58 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -53.42 -60.44 3.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -119.2 157.19 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -108.02 -50.41 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.37 -147.35 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -161.16 110.83 1.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -116.97 162.32 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 -177.54 18.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -151.2 141.88 14.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.16 64.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.0 131.11 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.34 119.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.68 159.42 25.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -134.1 153.92 51.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.48 95.89 0.53 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 54.0 Cg_endo -69.71 -30.78 21.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' CD2' ' HG2' ' A' ' 15' ' ' PRO . 2.3 pt? -136.35 134.88 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 p -124.97 133.66 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 37.5 t -42.35 154.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -84.26 -32.84 24.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 89.0 mt -87.41 -47.03 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.4 m -79.92 -46.9 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.09 39.7 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -110.57 -67.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -174.94 161.7 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -154.76 127.22 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' THR . 1.5 pm0 -79.98 41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' GLU . 14.9 t0 33.83 33.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.0 p -158.97 136.96 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 74.96 40.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -147.6 147.23 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.3 t -85.41 148.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 46.2 tp60 -140.66 145.5 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -73.39 130.31 84.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.78 24.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -119.66 -40.9 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.7 t -101.28 115.15 65.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -42.79 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 86.1 p -59.8 -34.76 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.9 m170 -60.14 108.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 28.8 mttt -130.08 98.85 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 2.0 m-85 -113.01 118.75 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -78.36 -178.42 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.07 -54.52 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.669 0.747 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.77 21.87 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -39.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -73.56 -42.8 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 51.7 mtp180 -47.1 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -43.81 -30.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 59.8 m -82.71 -34.56 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ALA . 82.5 mt -65.29 -38.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -80.25 -43.91 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.9 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 28.2 mt-30 -71.87 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.96 94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -56.11 -45.68 79.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -82.62 -38.37 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.18 12.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.59 170.9 15.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.478 HG11 ' NE2' ' A' ' 53' ' ' GLN . 95.1 t -151.19 105.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -78.35 173.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 10.0 t -35.74 134.58 0.52 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.2 Cg_endo -69.81 3.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 p -94.2 -29.27 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.23 29.84 8.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -116.43 -13.6 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 60.96 46.9 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.3 m -58.56 121.14 50.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.95 69.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mt -56.3 141.01 43.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -42.77 111.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.75 -44.61 2.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m -72.92 132.38 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.37 41.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.83 128.24 17.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.78 130.94 20.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 14.8 p-90 -71.88 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.22 130.57 52.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -49.7 145.59 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.4 ttm -102.0 145.9 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 79' ' ' MET . 23.5 mp0 -33.6 -45.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.05 -69.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ILE . 9.8 tt0 -55.56 -51.8 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLU . 69.3 mt -35.44 -37.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -41.69 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.3 m -51.84 -42.18 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.1 mt -76.68 -47.29 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -52.52 -54.47 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.7 t -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.57 -166.92 28.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.0 t -39.04 -65.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 m -113.7 131.71 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.535 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.63 -57.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.404 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -96.0 127.51 42.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.65 166.15 54.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -113.69 162.11 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m -100.3 -48.46 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 -156.97 26.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -125.07 89.4 52.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.634 0.731 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 104.99 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttm -107.19 102.31 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.29 149.47 49.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -70.55 82.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.883 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 p -171.45 173.64 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.48 84.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 53.4 Cg_endo -69.79 -52.21 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -144.38 159.29 42.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.2 p -137.08 143.11 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.6 t -54.17 155.62 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -86.13 -36.51 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -81.38 -45.07 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.57 -45.89 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m170 62.83 42.14 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -129.43 -73.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 mmt-85 -151.78 168.31 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 30' ' ' PHE . 19.5 mt -136.37 113.11 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.1 mt-10 -34.3 -64.87 0.22 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.7 m-20 -171.34 175.31 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASP . 34.3 p -33.34 -34.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.2 m-70 -34.27 -45.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 6.5 p90 -44.26 155.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -85.12 114.66 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 tm0? -110.76 124.73 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -55.03 128.11 64.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.23 35.91 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 p -110.89 -38.46 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 48.4 t -103.62 120.03 52.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -43.4 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 14.7 m170 -48.17 109.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mtmp? -134.99 83.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -98.25 124.19 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.7 p -81.97 178.8 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -51.89 -54.6 38.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.78 21.55 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.513 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.4 m -131.93 -36.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.58 -42.48 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ILE . 57.8 mtp180 -50.74 -62.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -38.39 -29.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ARG . 5.5 m -87.04 -37.61 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.6 mt -63.39 -31.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -83.97 -45.14 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.1 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' NE2' HG11 ' A' ' 59' ' ' VAL . 32.9 mt-30 -69.46 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.81 92.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -51.47 -42.37 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.0 m -91.75 -40.12 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.22 -150.44 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.42 ' C ' HG22 ' A' ' 59' ' ' VAL . 16.3 pt-20 -82.29 159.11 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG11 ' NE2' ' A' ' 53' ' ' GLN . 76.9 t -141.66 108.48 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.36 168.86 18.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.6 t -34.17 134.6 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.79 4.56 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.1 p -98.06 -29.03 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.22 7.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.65 -16.85 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 63.45 48.46 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 m -63.52 121.24 69.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.01 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.59 158.45 24.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -75.46 -38.45 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.34 18.51 44.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -159.87 174.59 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.88 35.56 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 75' ' ' PRO . 80.4 t -125.15 135.3 26.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.451 ' N ' HG13 ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 105.98 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -42.05 118.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.62 115.3 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -44.99 143.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -119.5 159.39 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' MET . 77.6 mm-40 -31.21 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.69 -80.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' THR . 5.1 tt0 -62.08 -52.12 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' GLU . 66.3 mt -32.16 -36.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.07 -41.12 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' GLU . 49.6 m -55.57 -42.9 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 82.2 mt -76.32 -52.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.16 -49.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 m -38.25 -64.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 91.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.56 11.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.7 t -75.9 161.15 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.7 t -112.29 106.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.497 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -92.45 170.93 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -167.26 139.87 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.37 -133.61 2.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -117.16 112.31 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -62.4 -27.43 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.19 -96.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -50.3 145.95 9.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.754 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.94 55.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' ALA . 11.5 mmt -46.13 -47.42 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' MET . . . -36.87 -44.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -54.81 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -160.48 141.08 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.02 -62.76 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.72 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 0.0 112.377 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -150.67 125.46 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.26 123.88 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.49 157.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -91.46 -25.95 19.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.72 -42.04 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 m -88.13 -36.75 16.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 64.31 40.73 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -126.05 179.43 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -70.63 96.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 30' ' ' PHE . 26.2 mt -46.19 137.63 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.26 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 29' ' ' HIS . 1.2 p30 -168.78 168.18 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t -29.92 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 27' ' ' ASP . 28.1 m170 -32.64 -43.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.481 ' CB ' HD21 ' A' ' 25' ' ' LEU . 8.7 p90 -48.28 151.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' PHE . 60.6 t -84.59 144.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 38.8 tp60 -137.65 135.47 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.72 129.86 93.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.24 29.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.2 p -96.4 -36.69 10.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.471 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 48.8 t -108.13 116.77 56.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -34.85 13.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.8 p -67.41 -46.13 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.5 m170 -45.79 111.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -132.61 93.98 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -110.28 125.8 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -84.92 -175.69 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.598 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -55.62 -54.19 54.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.8 20.96 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.22 -44.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.47 -44.99 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ILE . 55.0 mtp180 -46.76 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -41.14 -32.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.446 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.9 m -80.77 -35.44 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' ARG . 75.7 mt -60.96 -35.66 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -82.86 -42.78 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.94 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.8 mt-30 -73.26 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.64 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -56.7 -40.13 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -88.48 -39.73 13.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.1 -151.6 8.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -87.29 155.4 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 50' ' ' ILE . 86.2 t -135.02 113.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 66' ' ' LYS . 2.3 m-85 -81.2 174.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.554 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.8 t -38.02 135.15 0.84 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.77 4.38 2.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 p -95.62 -32.45 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.95 6.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 66' ' ' LYS . 79.6 mm-40 -121.74 19.9 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.493 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 43.3 mtpt 32.09 48.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.07 114.7 12.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 161.57 45.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.35 136.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -45.93 123.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.45 -44.55 1.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -79.27 158.73 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -104.23 39.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.38 128.08 19.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.486 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.67 116.8 4.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.0 p-90 -58.41 118.38 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.1 119.02 33.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 86' ' ' ILE . 38.0 m-85 -38.87 148.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmt -124.43 161.67 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 79' ' ' MET . 1.7 mp0 -32.52 -41.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.7 -70.05 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 tp10 -60.78 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.1 mt -37.62 -37.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.74 -41.49 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.5 m -53.97 -45.72 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 28.4 mt -76.23 -45.48 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.64 -60.31 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 47.19 41.43 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.75 -93.47 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 5.07 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.7 t -84.72 97.24 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.3 m -117.15 111.49 19.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.49 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -101.93 101.04 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -86.27 159.58 19.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.17 -88.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -79.4 112.83 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -80.34 49.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.6 161.73 52.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -75.73 134.52 72.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.8 3.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.5 173.69 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.91 140.52 15.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -93.36 88.12 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.0 m -63.99 99.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.97 -76.44 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mp -39.85 123.33 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.3 m -129.41 143.12 50.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.39 159.15 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 m -88.64 -36.85 16.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 70.2 mt -84.37 -44.93 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 38.4 m -81.38 -23.41 37.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 34.8 p80 48.73 45.25 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 28.6 mt-10 -141.45 -174.98 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -63.24 128.24 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -93.78 141.44 28.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.19 -60.42 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' HIS . 16.8 m-20 -175.09 169.71 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' HIS . 11.2 t -33.88 -34.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASP . 51.3 m80 -33.62 -42.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.2 p90 -47.04 159.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' PHE . 42.4 t -82.16 113.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.3 tm0? -109.7 123.36 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -49.79 127.44 19.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.81 4.08 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -133.35 -40.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 57.4 t -99.04 118.71 62.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 p -60.99 -39.18 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.518 ' CG ' HG12 ' A' ' 36' ' ' VAL . 19.8 m170 -58.99 107.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.6 mtmt -133.04 86.55 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -99.15 128.81 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.5 p -85.21 -176.45 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -56.52 -54.18 56.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.81 20.46 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.39 -38.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -74.07 -45.51 48.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CG ' HG23 ' A' ' 86' ' ' ILE . 13.0 mtp-105 -48.28 -58.52 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.26 -33.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 m -82.96 -29.98 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 89.9 mt -68.07 -36.91 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -80.66 -42.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.35 76.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 59' ' ' VAL . 32.2 mt-30 -73.64 -60.77 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.14 105.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.42 93.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -79.43 -35.71 40.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.98 -149.15 19.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.14 152.14 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG12 ' NE2' ' A' ' 53' ' ' GLN . 82.2 t -131.15 109.9 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -78.61 173.48 12.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 7.4 t -37.65 134.65 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.79 4.88 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -98.92 -27.99 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.27 7.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -115.65 -16.57 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 63.27 50.32 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.05 119.54 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.27 24.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.29 153.43 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.15 -36.75 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.89 17.45 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -161.05 177.39 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -110.58 36.7 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 93.7 t -130.07 139.57 36.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.81 113.23 3.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -49.57 114.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.27 124.95 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -45.52 133.33 7.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -97.0 146.1 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 79' ' ' MET . 2.1 mp0 -32.18 -44.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.44 -63.54 5.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.95 -48.06 75.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -38.2 -36.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.37 -42.18 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 m -49.47 -42.59 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 HG23 ' CG ' ' A' ' 47' ' ' ARG . 52.4 mt -75.84 -60.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' ILE . 40.5 mt -38.28 -50.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 p -68.39 -36.34 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' ILE . . . 53.87 166.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.534 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.29 37.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 t -78.67 166.6 22.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -151.84 162.11 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.087 -0.84 . . . . 0.0 112.506 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -140.25 164.18 30.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -106.57 156.39 18.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -65.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -65.01 134.07 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -78.83 177.4 8.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.14 -166.42 32.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -120.16 143.25 35.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.661 0.743 . . . . 0.0 110.86 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ALA . 6.5 tpt -164.33 149.03 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' MET . . . -37.04 -51.65 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.07 156.24 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -109.25 95.82 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.14 71.04 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.66 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 79.5 mt -49.45 108.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -115.1 162.06 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 t -74.08 145.39 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 m -80.27 -29.1 38.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.1 mt -87.08 -41.17 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 m -90.45 -49.8 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 64.05 44.71 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -119.2 -74.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 138.79 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.2 mt -134.43 10.65 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 43.14 25.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.2 OUTLIER 43.78 44.35 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 27' ' ' ASP . 11.6 p -166.32 142.14 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.5 m80 66.16 54.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -156.42 148.71 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 41' ' ' PHE . 37.5 t -81.72 122.42 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.5 tm0? -119.33 137.75 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -62.02 126.5 87.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.4 p -126.8 -43.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.51 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.2 t -99.58 121.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -43.11 2.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 81.9 p -60.36 -44.8 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' N ' ' HG ' ' A' ' 38' ' ' SER . 20.4 m170 -53.78 108.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.4 mtmm -135.0 100.02 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -111.54 130.31 55.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 5.2 p -85.05 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-85 -60.58 -53.91 59.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.52 -39.39 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -72.45 -38.81 68.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 59.5 mtp180 -53.86 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -42.19 -27.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 13.7 m -86.61 -32.45 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.2 mt -69.49 -29.15 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -84.52 -47.6 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.95 75.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' NE2' HG13 ' A' ' 59' ' ' VAL . 33.6 mt-30 -70.26 -64.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.43 101.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.18 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -83.74 -41.96 17.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.33 -148.37 5.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.04 163.41 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 ' NE2' ' A' ' 53' ' ' GLN . 68.0 t -143.85 108.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -80.8 172.69 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.5 t -33.89 134.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 p -94.32 -28.18 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.07 31.07 7.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.1 -15.2 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 mtpm? 62.51 48.76 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.42 120.19 60.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.3 38.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.25 141.49 52.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.87 121.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.12 -40.59 2.83 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.7 m -86.58 165.57 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -111.64 40.51 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 98.1 t -137.29 138.85 26.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.6 0.714 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 130.92 20.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.2 p-90 -72.35 93.84 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -92.85 115.14 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 78.9 m-85 -33.3 138.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' GLN . 12.9 mtt -94.15 150.01 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.5 mm-40 -36.13 -38.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.88 -57.27 11.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 8.1 tt0 -62.3 -49.51 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.6 mt -40.5 -35.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.07 -41.84 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 m -51.14 -43.58 61.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.6 mt -76.49 -53.38 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.8 mt -45.87 -48.28 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -81.06 -67.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.68 70.15 1.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 83.24 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -107.98 104.45 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -46.24 -49.69 16.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.453 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 55.88 42.32 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -110.61 149.98 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.5 -85.68 1.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m 44.68 42.12 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -72.77 -61.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.42 178.48 8.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.9 p -124.06 75.77 58.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.19 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.291 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 ttt -169.35 173.88 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 38.98 41.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.6 112.02 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -162.72 143.44 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.31 142.63 14.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -174.12 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.358 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -40.38 107.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.92 155.68 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.42 162.11 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.2 m -90.78 -43.15 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 80.2 mt -80.06 -41.36 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 37.9 m -86.15 -38.27 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.938 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 21' ' ' CYS . 3.6 p-80 43.31 44.64 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -126.21 -52.47 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -174.63 147.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 30' ' ' PHE . 14.1 mt -123.93 132.23 53.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.54 -58.94 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.0 t70 -174.05 173.45 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 27' ' ' ASP . 43.2 p -33.29 -34.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' ASP . 52.1 m170 -34.1 -47.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' CB ' HD23 ' A' ' 25' ' ' LEU . 8.6 p90 -39.82 145.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' PHE . 45.7 t -73.62 118.88 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.5 tm0? -114.93 143.49 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.58 126.27 92.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 54.0 Cg_endo -69.76 -23.93 30.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' HA ' ' CG2' ' A' ' 70' ' ' VAL . 4.7 p -99.56 -30.24 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 33.0 t -113.15 117.21 46.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.673 0.749 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.42 4.26 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.4 p -62.78 -45.73 91.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.64 131.82 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 7.4 mtmp? -152.82 105.53 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -120.34 126.1 49.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.1 p -80.51 -173.66 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.6 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -58.67 -53.74 63.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.74 20.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.21 -39.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -73.17 -39.91 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 50' ' ' ILE . 66.0 mtp180 -54.28 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -41.89 -26.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 3.6 m -86.09 -33.87 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' ARG . 89.3 mt -65.48 -36.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -78.17 -44.46 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -50.87 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.475 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.2 mt-30 -73.66 -65.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.94 106.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . . . -66.67 -42.22 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.6 m -70.56 -37.08 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.88 -147.21 21.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.6 154.39 21.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG13 ' NE2' ' A' ' 53' ' ' GLN . 94.7 t -134.27 105.91 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -74.06 164.81 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' TYR . 22.8 t -34.09 135.49 0.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.79 5.55 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 p -94.8 -28.94 15.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.46 32.01 8.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -117.22 -12.1 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 62.57 45.48 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.0 m -54.78 119.24 20.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.55 63.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.94 157.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 34' ' ' PRO . 90.1 t -77.11 70.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.99 -37.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.59 172.12 6.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -90.63 6.44 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -110.06 129.86 23.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 153.79 68.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -68.47 137.9 54.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.61 114.73 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -37.89 148.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.5 ptt? -119.87 156.72 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 79' ' ' MET . 22.0 mm100 -32.5 -45.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.87 -73.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -49.83 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -36.44 -36.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.46 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 84.8 m -54.51 -43.57 71.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.25 -52.71 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.86 -53.46 19.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -60.34 -58.78 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.77 161.03 33.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.74 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.0 m -50.07 146.87 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -57.78 -59.99 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.195 -0.78 . . . . 0.0 112.462 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -77.94 157.48 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -87.96 -31.64 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -87.55 -44.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.5 m -80.69 -45.67 16.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.1 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.0 t -77.37 114.22 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 7.7 tm0? -110.17 130.61 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.7 t -55.59 125.55 60.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.08 7.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.0 p -127.87 -37.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 39' ' ' HIS . 68.7 t -102.11 117.05 62.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -33.37 16.76 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 p -70.89 -43.91 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.765 ' H ' HG12 ' A' ' 36' ' ' VAL . 22.0 m170 -53.43 112.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -134.98 96.25 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -112.33 123.84 51.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 3.8 p -80.51 -173.82 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.52 -54.39 55.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 19.66 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.28 -40.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.8 -45.15 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HG3' HG22 ' A' ' 86' ' ' ILE . 50.5 mtp180 -47.49 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -41.06 -31.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 38.7 m -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HG21 ' A' ' 59' ' ' VAL . 86.9 mt -63.38 -36.9 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -81.62 -44.76 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.09 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' HG13 ' A' ' 59' ' ' VAL . 30.4 mt-30 -72.74 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.37 95.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.12 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.048 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.28 -26.51 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.75 -151.97 24.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -82.12 154.5 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.3 t -136.36 106.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -80.36 174.66 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 6.1 t -36.39 134.55 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.79 3.38 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -95.96 -29.23 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.45 28.59 8.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -113.28 -15.73 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mtpm? 59.29 48.35 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.36 127.57 88.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.5 p-90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -125.02 113.24 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ALA . 81.3 m-85 -34.82 140.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -100.68 146.3 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 79' ' ' MET . 18.9 mm-40 -31.69 -42.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -53.56 -72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' THR . 13.6 tt0 -58.64 -48.53 80.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 75.5 mt -33.63 -35.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.96 -38.41 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . 54.0 m -55.46 -44.4 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' HG3' ' A' ' 47' ' ' ARG . 65.4 mt -77.25 -42.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.851 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.08 162.22 24.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 m -88.6 -33.4 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.21 -43.39 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -79.99 -47.98 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.7 p90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' PHE . 52.6 t -78.09 116.71 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.1 tm0? -112.09 124.41 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -54.04 125.34 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.37 13.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 p -121.2 -37.43 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 39' ' ' HIS . 45.5 t -106.47 120.97 46.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -40.55 5.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 p -63.15 -45.68 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' H ' HG12 ' A' ' 36' ' ' VAL . 2.0 m-70 -51.46 109.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.7 mtmt -134.97 86.43 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -100.54 126.68 47.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.1 p -82.68 -173.86 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-30 -58.23 -53.92 61.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.691 0.757 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.77 20.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.75 -29.81 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.53 -46.92 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.4 mtm105 -45.43 -63.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -42.89 -29.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -86.12 -29.67 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 83' ' ' ILE . 80.0 mt -71.19 -35.52 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -81.84 -40.05 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.55 -50.33 65.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' NE2' HG13 ' A' ' 59' ' ' VAL . 28.2 mt-30 -71.47 -65.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.85 101.06 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.35 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -78.61 -40.93 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.07 -147.98 4.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.68 153.17 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.462 HG13 ' NE2' ' A' ' 53' ' ' GLN . 73.7 t -133.7 107.19 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -78.92 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.523 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.77 134.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.75 4.77 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 52.4 p -98.32 -27.68 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.51 31.07 8.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.4 -16.01 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 60.24 49.65 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 m -62.83 127.68 90.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 158.65 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.2 p-90 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.767 0.318 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -138.18 110.54 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 83' ' ' ILE . 27.3 m-85 -33.75 137.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.1 ptm -106.27 162.37 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 70.9 mm-40 -33.83 -45.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.64 -75.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' ILE . 10.6 tt0 -54.88 -55.15 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.571 HG23 HG21 ' A' ' 50' ' ' ILE . 66.2 mt -35.34 -37.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -41.29 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m -52.03 -42.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 47' ' ' ARG . 81.1 mt -76.95 -56.92 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -48.69 155.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -88.4 -29.01 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 93.6 mt -89.26 -43.48 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 m -82.45 -49.47 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 40' ' ' LYS . 6.2 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.3 t -82.95 136.95 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 tp-100 -132.1 138.2 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HG ' ' HZ2' ' A' ' 76' ' ' TRP . 1.8 t -70.78 128.72 90.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.4 Cg_endo -69.74 -24.43 29.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -97.09 -37.66 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 39' ' ' HIS . 66.3 t -107.53 115.37 59.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.79 23.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -72.0 -44.45 63.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.729 ' H ' HG12 ' A' ' 36' ' ' VAL . 1.8 m-70 -49.2 113.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 33.2 mttt -134.95 95.59 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -110.93 125.82 54.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.3 p -83.85 -173.08 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.614 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -59.67 -54.03 59.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 19.92 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.88 -35.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -73.52 -45.93 50.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.1 mtp180 -48.05 -62.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.01 -31.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 69.0 m -83.3 -33.96 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.923 HG21 HG23 ' A' ' 83' ' ' ILE . 77.3 mt -67.9 -37.88 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -76.18 -42.27 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.04 75.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 25.2 mt-30 -72.48 -64.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.81 103.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.27 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.9 m -73.78 -40.69 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -144.47 7.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.06 162.53 14.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.732 HG21 HG23 ' A' ' 50' ' ' ILE . 68.8 t -137.38 113.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.3 m-85 -81.74 169.78 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.0 t -36.37 134.87 0.58 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.7 4.76 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -98.93 -29.24 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.34 7.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' LYS . 30.7 mm-40 -122.2 17.12 10.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLU . 49.6 mtpt 33.71 47.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.9 m -60.35 115.75 14.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.474 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 16.3 p-90 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -99.79 114.9 28.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' ALA . 58.3 m-85 -34.21 150.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.0 mtp -111.49 141.64 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' MET . 89.0 mm-40 -34.02 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.82 -54.44 33.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.19 -45.78 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 50' ' ' ILE . 49.6 mt -38.02 -36.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.11 -41.55 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.1 m -49.78 -43.97 48.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.581 HG22 ' HG3' ' A' ' 47' ' ' ARG . 33.6 mt -77.43 -45.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.892 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -50.58 147.34 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -76.46 -34.06 58.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.3 mt -81.57 -44.47 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 m -81.69 -45.78 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.6 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -67.99 108.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 16.4 tm0? -107.85 135.02 49.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.71 125.41 82.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -19.95 36.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -103.51 -33.89 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 39' ' ' HIS . 53.5 t -108.65 117.97 52.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -40.8 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -63.74 -45.39 90.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.687 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -49.36 131.72 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -152.26 108.22 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -123.86 122.85 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.4 p -79.07 -173.94 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.49 -54.13 59.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 20.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.479 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.65 -32.34 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.51 -44.95 20.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' ILE . 96.5 mtt180 -48.27 -61.1 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -42.18 -31.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 37.9 m -84.24 -30.83 25.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -68.54 -37.09 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.54 -43.32 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.1 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 24.5 mt-30 -75.56 -64.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.02 103.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -64.43 -44.56 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 m -67.02 -39.55 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.86 -140.42 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.67 158.44 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -137.4 104.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -74.52 167.38 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 60' ' ' TYR . 18.6 t -34.22 134.92 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.7 4.75 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -92.15 -30.62 15.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.73 27.64 10.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -117.78 -10.86 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 60.52 52.9 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.8 m -58.1 117.99 23.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -115.0 115.33 26.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' ALA . 24.6 m-85 -34.6 142.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 80' ' ' GLN . 19.5 mmm -105.95 152.0 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' MET . 30.8 mm-40 -33.71 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.97 -68.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HG2' HD11 ' A' ' 86' ' ' ILE . 6.4 tt0 -58.92 -52.45 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.43 HG23 HG21 ' A' ' 50' ' ' ILE . 67.5 mt -37.37 -35.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 -40.27 11.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.5 m -53.85 -45.2 70.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 82' ' ' GLU . 47.8 mt -73.4 -58.08 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.868 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.4 t -52.95 160.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -89.13 -27.58 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.8 mt -92.74 -40.81 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -85.48 -34.66 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m170 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 11.0 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.8 t -78.79 115.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.3 tm0? -113.07 140.93 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.31 123.1 85.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -9.09 25.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 35.9 p -113.06 -36.6 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 39' ' ' HIS . 58.2 t -108.82 120.39 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.8 7.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -64.26 -45.93 85.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.638 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -50.22 127.71 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -151.13 104.96 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.543 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -121.09 124.91 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.0 p -82.67 -173.69 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m-30 -57.93 -54.14 58.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.76 19.4 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.82 -32.34 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -76.14 -48.11 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' CG ' HG22 ' A' ' 86' ' ' ILE . 65.6 mtt180 -44.08 -65.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -38.03 -34.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.466 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.7 m -80.9 -38.0 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.593 HG22 ' HA ' ' A' ' 55' ' ' ALA . 69.9 mt -63.12 -35.67 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -80.63 -45.98 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.43 93.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.617 ' NE2' HG13 ' A' ' 59' ' ' VAL . 27.3 mt-30 -76.67 -62.35 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.74 100.31 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.593 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -55.03 -49.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -82.96 -30.89 27.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.47 -153.57 21.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -86.38 148.64 25.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 ' NE2' ' A' ' 53' ' ' GLN . 92.4 t -131.41 107.45 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.522 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.7 m-85 -80.86 170.36 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.489 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 1.8 t -34.56 135.5 0.39 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.81 2.21 3.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -92.95 -29.32 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.96 29.86 8.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -117.06 -19.51 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.1 mtpm? 63.52 50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -63.65 127.36 91.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 35' ' ' SER . 53.2 Cg_endo -69.8 147.72 63.24 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -119.3 111.82 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.465 ' O ' HD11 ' A' ' 83' ' ' ILE . 74.1 m-85 -34.19 136.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.0 ptt? -119.04 162.04 19.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.2 mp0 -33.12 -44.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.81 -75.14 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 7.6 tt0 -65.54 -50.09 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 77.3 mt -34.4 -36.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -92.2 -39.0 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' GLU . 95.9 m -53.25 -42.69 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.516 HG22 ' CG ' ' A' ' 47' ' ' ARG . 58.9 mt -80.64 -58.19 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 83' ' ' ILE . 30.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.33 154.27 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -87.5 -35.66 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.78 -47.0 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -78.85 -47.37 16.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.878 0.37 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' PHE . 48.7 t -81.01 140.73 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 37.1 tp60 -133.94 135.41 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 2.2 t -64.84 127.44 92.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -11.85 31.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -111.83 -38.77 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.9 t -105.8 118.21 55.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -65.18 -46.33 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' H ' HG12 ' A' ' 36' ' ' VAL . 16.6 m170 -47.29 113.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -134.96 97.82 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -113.52 122.86 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 3.6 p -81.3 -173.95 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.52 -53.95 60.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.69 20.67 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.28 -38.81 2.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.52 -48.21 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ILE . 71.8 mtt180 -44.49 -62.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -42.01 -32.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 48.1 m -84.53 -29.65 25.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 55' ' ' ALA . 89.0 mt -69.49 -32.26 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -84.52 -42.01 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.45 69.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 30.4 mt-30 -73.39 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.52 98.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -57.02 -43.51 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.8 m -93.17 -41.04 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.76 -151.38 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.75 160.81 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.459 ' H ' ' HB1' ' A' ' 77' ' ' ALA . 95.7 t -143.43 105.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 2.4 m-85 -77.8 168.96 19.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 60' ' ' TYR . 11.4 t -33.27 134.84 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.592 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.75 4.82 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.419 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -97.37 -32.66 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.87 31.1 6.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 66' ' ' LYS . 26.8 mm-40 -121.03 19.9 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 52.8 mtpt 32.21 46.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.47 118.19 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.74 44.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 76' ' ' TRP . 6.0 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.8 p-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.41 116.09 26.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' O ' HD11 ' A' ' 83' ' ' ILE . 33.2 m-85 -36.72 136.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmm -106.11 157.72 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' MET . 14.4 mp0 -34.08 -39.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.89 -70.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -61.12 -47.16 87.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' HD12 ' A' ' 87' ' ' LEU . 77.6 mt -43.03 -35.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.09 -40.78 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.9 m -53.32 -43.23 67.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 25.9 mt -80.08 -58.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 83' ' ' ILE . 24.7 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' CYS . 26.8 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' CYS . 49.6 t -38.06 157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -85.88 -29.72 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.6 mt -93.8 -45.93 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 m -79.95 -37.65 34.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 3.4 p90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.923 0.392 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.5 t -74.69 114.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 3.0 tm0? -110.94 130.56 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -57.91 124.44 69.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.92 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 p -122.68 -41.11 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 39' ' ' HIS . 56.0 t -104.11 121.68 46.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -39.04 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -64.47 -45.15 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' H ' HG12 ' A' ' 36' ' ' VAL . 18.0 m170 -53.8 108.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 40.0 mtmt -134.99 96.91 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -109.78 130.45 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.7 p -84.64 -174.69 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.55 -53.88 60.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 21.3 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.379 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -36.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.74 -44.29 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.585 ' CG ' HG22 ' A' ' 86' ' ' ILE . 48.9 mtm180 -47.9 -63.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -40.44 -29.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -87.34 -34.85 18.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 86.5 mt -64.94 -34.1 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -83.37 -43.46 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.96 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.665 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.7 mt-30 -71.03 -61.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.45 98.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -53.15 -45.91 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -92.7 -33.95 14.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.87 -149.99 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.23 150.55 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' NE2' ' A' ' 53' ' ' GLN . 69.2 t -134.02 110.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.5 m-85 -81.44 172.26 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.17 134.69 0.37 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.81 4.05 2.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.2 p -97.4 -30.1 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.89 30.7 7.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -114.39 -17.04 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 61.65 46.59 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.26 126.89 85.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.26 38.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.0 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.86 117.74 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -39.63 136.35 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.4 ttm -100.03 146.15 27.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 79' ' ' MET . 6.2 mp0 -31.11 -41.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.79 -72.93 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.92 -45.32 94.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 69.8 mt -37.07 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.19 -40.61 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -52.76 -45.15 66.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.585 HG22 ' CG ' ' A' ' 47' ' ' ARG . 47.3 mt -79.21 -53.56 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 83' ' ' ILE . 13.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -63.58 155.68 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.1 m -85.41 -38.47 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.7 mt -79.51 -44.62 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -80.96 -52.55 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 9.7 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.3 t -82.32 113.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.8 tm0? -105.67 121.42 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.27 123.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.74 24.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -111.01 -34.71 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' H ' ' A' ' 39' ' ' HIS . 96.7 t -115.07 120.92 36.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.11 17.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 m -69.19 -44.7 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' H ' HG12 ' A' ' 36' ' ' VAL . 31.6 m170 -52.05 112.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 32.5 mttm -134.97 81.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.603 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -96.44 123.32 40.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.4 p -80.16 -174.97 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.4 -54.29 56.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.77 20.83 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.97 -30.01 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.59 -42.27 20.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.4 mtp180 -51.43 -61.72 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.01 -23.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 67.0 m -89.3 -35.24 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.655 HG22 ' HA ' ' A' ' 55' ' ' ALA . 85.4 mt -66.39 -32.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -83.36 -45.13 14.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.05 70.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.1 mt-30 -71.57 -57.45 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 93.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -54.49 -41.95 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.7 m -91.92 -38.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.04 -149.82 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.42 171.47 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG21 HG23 ' A' ' 50' ' ' ILE . 79.1 t -151.84 107.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.5 m-85 -79.65 172.51 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.7 t -35.71 134.03 0.52 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.603 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.9 p -97.28 -27.79 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 26.42 10.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -110.79 -20.35 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 mtpm? 65.39 43.93 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.9 m -54.61 117.8 14.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 142.81 48.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.67 122.19 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' O ' HD11 ' A' ' 83' ' ' ILE . 32.1 m-85 -45.72 134.58 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -110.69 163.72 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' MET . 16.4 mm-40 -33.66 -44.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.7 -78.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 5.5 tt0 -54.67 -52.57 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.474 HD11 ' O ' ' A' ' 78' ' ' PHE . 73.5 mt -37.04 -36.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.03 -43.12 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 m -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 79.7 mt -72.57 -59.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.46 157.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 m -88.51 -36.59 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.7 mt -84.65 -45.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -79.57 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 30.7 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.7 t -78.57 112.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 5.3 tm0? -107.74 126.22 52.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.6 t -58.52 126.3 78.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -11.7 31.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 p -112.95 -38.27 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.8 t -104.41 119.56 53.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.676 0.751 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.9 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -63.41 -44.99 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.7 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -49.32 110.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 24.8 mttt -135.0 87.7 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -104.09 123.24 46.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -84.11 179.72 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -51.2 -54.57 36.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.5 Cg_endo -69.74 21.41 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.54 -39.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.28 -43.22 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.2 mtp180 -46.75 -63.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -41.7 -29.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -86.16 -31.31 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HG23 ' A' ' 83' ' ' ILE . 84.7 mt -69.55 -30.97 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -86.32 -39.27 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.16 62.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 34.5 mt-30 -70.25 -62.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.86 99.28 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.01 80.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.4 m -83.4 -45.59 13.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.01 -150.19 6.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.67 160.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG13 ' NE2' ' A' ' 53' ' ' GLN . 70.1 t -142.22 116.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.3 m-85 -87.67 174.65 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.515 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.3 t -33.43 134.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 p -94.67 -30.37 14.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.72 30.24 7.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -114.03 -18.1 11.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 63.01 49.44 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.72 124.6 85.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.81 68.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 11.4 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -98.36 112.44 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.658 ' O ' HD11 ' A' ' 83' ' ' ILE . 59.5 m-85 -33.55 114.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.3 tmm? -62.47 132.63 53.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 83' ' ' ILE . 42.8 mm-40 -33.06 -40.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.76 -61.59 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.69 -47.05 85.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.777 HG23 HG21 ' A' ' 50' ' ' ILE . 56.4 mt -36.05 -35.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -42.29 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -53.25 -44.05 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 47' ' ' ARG . 93.9 mt -71.95 -57.77 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.38 154.98 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.18 -38.53 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 80.3 mt -78.52 -46.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.0 m -78.57 -43.46 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 8.1 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.6 t -83.02 102.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.7 tm0? -100.14 130.89 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' HG ' ' HZ2' ' A' ' 76' ' ' TRP . 5.2 t -65.84 122.93 83.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.71 24.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -108.75 -40.04 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.46 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 t -112.1 121.46 39.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.53 22.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 m -70.99 -40.05 72.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.4 m170 -56.99 111.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 16.0 mtmt -135.0 87.28 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -102.09 128.49 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.0 p -85.55 -173.27 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -60.62 -53.72 61.71 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.76 20.7 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.42 -29.28 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.1 -49.87 11.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ILE . 61.6 mtt180 -43.13 -64.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -41.49 -33.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -82.88 -32.4 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 55' ' ' ALA . 83.2 mt -68.05 -34.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -80.44 -44.37 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.09 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.48 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.1 95.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.678 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -52.99 -45.2 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 p -90.45 -42.53 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.8 -149.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.04 149.53 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG21 HG23 ' A' ' 50' ' ' ILE . 92.3 t -132.4 104.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -78.32 178.26 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.1 t -40.99 134.32 1.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.0 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 p -98.4 -28.2 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 30.06 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.88 -17.53 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.4 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 24.9 mtmm 61.31 42.21 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.22 120.58 21.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.13 49.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -118.33 116.63 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 77' ' ' ALA . 56.3 m-85 -34.23 140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.4 mmm -109.15 155.25 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 8.8 mm-40 -34.96 -43.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.41 -70.29 1.02 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.26 -50.95 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.514 HG23 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -38.86 -36.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.75 -38.05 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.9 m -50.82 -41.77 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.458 HG22 ' CG ' ' A' ' 47' ' ' ARG . 36.0 mt -83.57 -60.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ILE . 38.5 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 t -49.28 150.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.6 m -81.29 -25.63 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -93.41 -41.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 m -85.25 -47.77 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' PHE . 53.9 t -81.14 118.81 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 8.1 tm0? -115.16 134.72 54.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.4 t -63.35 128.87 93.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.428 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.9 Cg_endo -69.72 -15.58 37.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.252 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -109.22 -41.03 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 39' ' ' HIS . 49.3 t -100.78 119.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m -63.26 -45.22 92.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.639 ' H ' HG12 ' A' ' 36' ' ' VAL . 2.1 m-70 -49.29 108.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -134.66 91.37 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -105.26 126.19 51.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.2 p -81.84 -173.43 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.59 -54.11 59.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.81 19.99 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.57 -30.34 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.37 -46.98 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.6 mtm105 -45.45 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.07 -30.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.461 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.5 m -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.695 HG23 HG21 ' A' ' 59' ' ' VAL . 77.5 mt -62.9 -35.38 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.53 -46.57 17.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.61 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 31.0 mt-30 -71.73 -63.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.98 102.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -64.91 -43.5 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -85.91 -20.96 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.12 -150.37 22.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -82.84 151.33 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 HG23 ' A' ' 50' ' ' ILE . 93.6 t -128.84 104.1 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -76.36 169.85 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 11.1 t -36.93 134.94 0.64 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.72 5.5 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 p -100.21 -26.33 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.79 28.89 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.9 mm-40 -118.97 13.94 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 12.5 mtmt 33.99 50.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 m -62.93 117.26 30.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 163.61 37.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 27.8 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.718 0.295 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -107.07 112.5 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' O ' HD11 ' A' ' 83' ' ' ILE . 89.6 m-85 -33.58 138.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -103.4 161.23 14.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.9 mm-40 -35.02 -44.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.86 -70.64 0.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 tt0 -55.61 -56.47 19.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.586 HG23 HG21 ' A' ' 50' ' ' ILE . 71.5 mt -35.3 -35.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -91.9 -41.43 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.2 m -51.3 -42.91 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' CG ' ' A' ' 47' ' ' ARG . 38.0 mt -77.81 -53.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t -43.14 159.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -90.19 -29.71 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.5 mt -89.74 -42.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.5 -46.1 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 10.4 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 ' HZ ' ' A' ' 78' ' ' PHE . 55.6 t -77.51 113.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.6 tm0? -109.03 125.48 52.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -51.09 126.8 27.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.922 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' CG ' ' CD1' ' A' ' 76' ' ' TRP . 53.7 Cg_endo -69.78 2.38 3.6 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 p -133.43 -39.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 39' ' ' HIS . 59.2 t -99.91 119.45 59.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.01 2.34 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.1 p -61.07 -41.94 97.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . 24.6 m170 -56.5 109.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 15.8 mtmm -134.93 90.08 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -103.42 129.24 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -83.79 -176.58 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 m-30 -55.21 -54.47 50.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.82 20.08 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.01 -34.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -80.05 -41.2 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . 58.9 mtp180 -51.0 -61.87 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -40.72 -27.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -86.56 -34.67 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 83' ' ' ILE . 50.7 mt -64.12 -29.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -88.12 -42.27 12.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.59 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' OE1' HG13 ' A' ' 59' ' ' VAL . 69.5 mt-30 -66.88 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.73 84.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -50.17 -41.92 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -87.64 -36.11 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.96 -152.2 21.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.44 163.28 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.562 HG13 ' OE1' ' A' ' 53' ' ' GLN . 60.1 t -142.61 109.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.451 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.4 m-85 -84.84 -179.53 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.474 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 34.0 t -42.52 135.39 2.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.83 4.27 2.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -96.35 -29.97 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.73 25.35 9.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' LYS . 75.9 mm-40 -116.45 15.2 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mtmt 34.69 45.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 13.8 m -56.85 112.47 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.8 142.33 47.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 76' ' ' TRP . 5.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.536 ' CD1' ' CG ' ' A' ' 34' ' ' PRO . 5.5 p-90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -97.04 107.48 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HZ ' HG11 ' A' ' 31' ' ' VAL . 44.7 m-85 -33.55 120.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.7 mtt -79.14 146.18 33.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -34.53 -39.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.15 -56.08 22.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 10.1 tt0 -64.45 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -50.09 -34.57 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.51 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 m -56.21 -47.13 78.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.8 mt -71.21 -47.9 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.89 158.02 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -86.85 -38.88 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 63.1 mt -82.17 -46.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.17 -44.4 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 19.9 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.92 0.39 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.9 t -74.67 107.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 4.2 tm0? -102.18 127.44 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -56.41 125.88 67.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.69 2.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 p -132.61 -43.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.511 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 11.1 t -100.03 119.57 59.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -40.27 5.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -61.66 -43.3 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.0 m170 -56.09 109.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 4.3 mtmp? -135.01 88.47 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -102.99 125.25 49.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -79.68 -173.22 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -59.03 -53.88 62.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.76 21.07 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.51 -40.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -72.16 -47.7 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 86' ' ' ILE . 15.9 mtp-105 -45.29 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -41.67 -32.96 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.4 m -82.47 -34.74 27.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 59' ' ' VAL . 79.9 mt -62.44 -35.3 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -81.42 -45.53 15.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.23 78.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 27.6 mt-30 -71.4 -60.25 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.63 100.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.73 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.3 p -95.1 -36.18 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.16 -151.1 5.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.61 157.53 21.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 50' ' ' ILE . 98.4 t -136.53 109.92 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -85.55 174.59 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.0 t -35.19 134.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.8 3.79 2.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 24.6 p -97.78 -29.21 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 30.32 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -114.32 -17.03 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 61.98 48.16 5.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.4 m -60.72 123.91 76.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.45 45.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.732 2.288 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.9 p-90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.38 115.48 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 73.5 m-85 -38.99 158.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' GLN . 22.4 ptp -129.44 157.37 42.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.6 mp0 -32.87 -43.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -75.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -46.58 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 50' ' ' ILE . 69.1 mt -41.21 -37.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -41.11 11.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 96.1 m -53.01 -40.96 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.673 HG22 ' HG3' ' A' ' 47' ' ' ARG . 64.3 mt -76.28 -54.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -49.17 153.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.83 -36.08 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.8 mt -81.75 -46.42 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.5 m -79.41 -32.57 42.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.6 m170 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 32' ' ' GLN . 24.7 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' PHE . 58.0 t -85.62 116.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.2 tm0? -115.24 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.8 t -56.01 125.93 64.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.27 18.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 p -119.77 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 21.6 t -101.02 119.34 58.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.05 9.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -66.52 -45.08 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m-70 -52.29 111.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.86 95.35 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -110.33 123.48 49.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.4 p -81.93 -178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.18 -54.55 43.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.74 21.9 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.35 -34.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -75.42 -48.22 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 50' ' ' ILE . 49.4 mtm180 -42.01 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -40.32 -33.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 50.9 m -81.51 -34.95 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.694 HG21 HG23 ' A' ' 83' ' ' ILE . 79.1 mt -64.58 -34.17 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -83.19 -45.15 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 23.2 mt-30 -78.33 -59.89 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.07 101.52 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.43 97.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 t -94.62 -28.82 15.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.19 -151.5 22.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -80.49 165.2 22.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG21 HG23 ' A' ' 50' ' ' ILE . 90.9 t -145.03 105.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -79.65 171.47 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' TYR . 4.7 t -36.37 134.51 0.59 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.55 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 4.98 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.3 p -98.07 -28.58 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.98 30.21 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.27 -17.25 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 63.72 48.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.73 121.69 76.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.68 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -109.23 113.51 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' ALA . 88.0 m-85 -37.18 139.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 80' ' ' GLN . 11.5 ptp -105.36 149.13 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.8 tp-100 -32.07 -40.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -52.83 -73.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.5 tp10 -60.51 -49.51 77.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.694 HG23 HG21 ' A' ' 50' ' ' ILE . 63.8 mt -33.38 -37.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -89.43 -39.46 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' GLU . 53.0 m -53.42 -42.67 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.18 -55.42 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -42.35 154.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -84.26 -32.84 24.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 89.0 mt -87.41 -47.03 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.4 m -79.92 -46.9 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.3 t -85.41 148.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 46.2 tp60 -140.66 145.5 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -73.39 130.31 84.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.78 24.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -119.66 -40.9 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.7 t -101.28 115.15 65.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -42.79 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.1 p -59.8 -34.76 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.9 m170 -60.14 108.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -130.08 98.85 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 2.0 m-85 -113.01 118.75 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -78.36 -178.42 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.606 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.07 -54.52 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.669 0.747 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.77 21.87 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -39.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -73.56 -42.8 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 51.7 mtp180 -47.1 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -43.81 -30.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.491 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 59.8 m -82.71 -34.56 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.776 HG21 HG23 ' A' ' 83' ' ' ILE . 82.5 mt -65.29 -38.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -80.25 -43.91 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.9 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 28.2 mt-30 -71.87 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.96 94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.671 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.11 -45.68 79.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -82.62 -38.37 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.18 12.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.59 170.9 15.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 50' ' ' ILE . 95.1 t -151.19 105.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -78.35 173.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 10.0 t -35.74 134.58 0.52 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.593 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.2 Cg_endo -69.81 3.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 p -94.2 -29.27 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.23 29.84 8.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -116.43 -13.6 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 60.96 46.9 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.3 m -58.56 121.14 50.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.95 69.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 14.8 p-90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.22 130.57 52.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -49.7 145.59 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.4 ttm -102.0 145.9 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 79' ' ' MET . 23.5 mp0 -33.6 -45.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.05 -69.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ILE . 9.8 tt0 -55.56 -51.8 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 HG21 ' A' ' 50' ' ' ILE . 69.3 mt -35.44 -37.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -41.69 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.3 m -51.84 -42.18 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 47' ' ' ARG . 47.1 mt -76.68 -47.29 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.6 t -54.17 155.62 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -86.13 -36.51 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 mt -81.38 -45.07 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.57 -45.89 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 6.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -85.12 114.66 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 tm0? -110.76 124.73 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -55.03 128.11 64.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.23 35.91 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 p -110.89 -38.46 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.4 t -103.62 120.03 52.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -43.4 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.609 ' H ' HG12 ' A' ' 36' ' ' VAL . 14.7 m170 -48.17 109.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mtmp? -134.99 83.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -98.25 124.19 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.7 p -81.97 178.8 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -51.89 -54.6 38.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.78 21.55 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.4 m -131.93 -36.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.58 -42.48 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ILE . 57.8 mtp180 -50.74 -62.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -38.39 -29.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ARG . 5.5 m -87.04 -37.61 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 83' ' ' ILE . 85.6 mt -63.39 -31.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -83.97 -45.14 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.1 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.9 mt-30 -69.46 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.81 92.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -51.47 -42.37 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.0 m -91.75 -40.12 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.22 -150.44 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.29 159.11 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.603 HG21 HG23 ' A' ' 50' ' ' ILE . 76.9 t -141.66 108.48 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.36 168.86 18.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.6 t -34.17 134.6 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.594 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.79 4.56 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 25.1 p -98.06 -29.03 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.22 7.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.65 -16.85 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 63.45 48.46 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 m -63.52 121.24 69.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.01 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.62 115.3 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' O ' HD11 ' A' ' 83' ' ' ILE . 67.1 m-85 -44.99 143.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -119.5 159.39 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' MET . 77.6 mm-40 -31.21 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.69 -80.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' THR . 5.1 tt0 -62.08 -52.12 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 50' ' ' ILE . 66.3 mt -32.16 -36.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.07 -41.12 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' GLU . 49.6 m -55.57 -42.9 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.479 HG22 ' CG ' ' A' ' 47' ' ' ARG . 82.2 mt -76.32 -52.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.49 157.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -91.46 -25.95 19.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.412 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.2 mt -94.72 -42.04 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 m -88.13 -36.75 16.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 p90 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' PHE . 60.6 t -84.59 144.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 38.8 tp60 -137.65 135.47 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 4.8 t -67.72 129.86 93.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.24 29.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.2 p -96.4 -36.69 10.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.8 t -108.13 116.77 56.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -34.85 13.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.8 p -67.41 -46.13 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.64 ' H ' HG12 ' A' ' 36' ' ' VAL . 1.9 m-70 -45.79 111.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -132.61 93.98 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -110.28 125.8 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -84.92 -175.69 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -55.62 -54.19 54.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.8 20.96 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.481 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.22 -44.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.47 -44.99 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.0 mtp180 -46.76 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -41.14 -32.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.457 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.9 m -80.77 -35.44 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.686 ' HA ' HG21 ' A' ' 59' ' ' VAL . 75.7 mt -60.96 -35.66 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -82.86 -42.78 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.94 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.729 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.8 mt-30 -73.26 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.64 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.7 -40.13 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -88.48 -39.73 13.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.1 -151.6 8.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -87.29 155.4 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.729 HG13 ' NE2' ' A' ' 53' ' ' GLN . 86.2 t -135.02 113.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 66' ' ' LYS . 2.3 m-85 -81.2 174.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.8 t -38.02 135.15 0.84 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.77 4.38 2.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 p -95.62 -32.45 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.95 6.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 66' ' ' LYS . 79.6 mm-40 -121.74 19.9 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 43.3 mtpt 32.09 48.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.07 114.7 12.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 161.57 45.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.0 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.1 119.02 33.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 86' ' ' ILE . 38.0 m-85 -38.87 148.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmt -124.43 161.67 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.9 OUTLIER -32.52 -41.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.7 -70.05 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 tp10 -60.78 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 63.1 mt -37.62 -37.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.74 -41.49 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.5 m -53.97 -45.72 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.568 HG22 ' HG3' ' A' ' 47' ' ' ARG . 28.4 mt -76.23 -45.48 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 83' ' ' ILE . 19.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.39 159.15 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 m -88.64 -36.85 16.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 70.2 mt -84.37 -44.93 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 38.4 m -81.38 -23.41 37.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 34.8 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.2 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' PHE . 42.4 t -82.16 113.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.3 tm0? -109.7 123.36 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -49.79 127.44 19.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.81 4.08 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -133.35 -40.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.717 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.4 t -99.04 118.71 62.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.77 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 p -60.99 -39.18 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.717 ' H ' HG12 ' A' ' 36' ' ' VAL . 19.8 m170 -58.99 107.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.6 mtmt -133.04 86.55 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -99.15 128.81 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.5 p -85.21 -176.45 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -56.52 -54.18 56.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.81 20.46 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.39 -38.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -74.07 -45.51 48.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' CG ' HG22 ' A' ' 86' ' ' ILE . 13.0 mtp-105 -48.28 -58.52 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.26 -33.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 m -82.96 -29.98 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 83' ' ' ILE . 89.9 mt -68.07 -36.91 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -80.66 -42.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.35 76.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.2 mt-30 -73.64 -60.77 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.14 105.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.42 93.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -79.43 -35.71 40.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.98 -149.15 19.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.14 152.14 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' NE2' ' A' ' 53' ' ' GLN . 82.2 t -131.15 109.9 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.61 173.48 12.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 t -37.65 134.65 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.596 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.79 4.88 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -98.92 -27.99 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.27 7.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -115.65 -16.57 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 63.27 50.32 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.05 119.54 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.27 24.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.712 0.291 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.27 124.95 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -45.52 133.33 7.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -97.0 146.1 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' N ' ' HG3' ' A' ' 79' ' ' MET . 3.5 mp0 -32.18 -44.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.44 -63.54 5.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.95 -48.06 75.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.847 HG23 HG21 ' A' ' 50' ' ' ILE . 80.3 mt -38.2 -36.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.37 -42.18 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 m -49.47 -42.59 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.694 HG22 ' CG ' ' A' ' 47' ' ' ARG . 52.4 mt -75.84 -60.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 47' ' ' ARG . 40.5 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 t -74.08 145.39 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 m -80.27 -29.1 38.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 76.1 mt -87.08 -41.17 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 m -90.45 -49.8 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.959 0.409 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 41' ' ' PHE . 37.5 t -81.72 122.42 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.5 tm0? -119.33 137.75 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -62.02 126.5 87.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.4 p -126.8 -43.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.2 t -99.58 121.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -43.11 2.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.9 p -60.36 -44.8 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 20.4 m170 -53.78 108.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.4 mtmm -135.0 100.02 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -111.54 130.31 55.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.2 p -85.05 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-85 -60.58 -53.91 59.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.52 -39.39 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -72.45 -38.81 68.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 59.5 mtp180 -53.86 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -42.19 -27.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.407 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 13.7 m -86.61 -32.45 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 87.2 mt -69.49 -29.15 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -84.52 -47.6 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.95 75.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 33.6 mt-30 -70.26 -64.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.43 101.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -60.28 -39.18 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -83.74 -41.96 17.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.33 -148.37 5.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.04 163.41 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG13 ' NE2' ' A' ' 53' ' ' GLN . 68.0 t -143.85 108.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.8 172.69 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.5 t -33.89 134.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 p -94.32 -28.18 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.07 31.07 7.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.1 -15.2 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 mtpm? 62.51 48.76 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.42 120.19 60.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.3 38.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.2 p-90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.755 0.312 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -92.85 115.14 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 78.9 m-85 -33.3 138.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' GLN . 12.9 mtt -94.15 150.01 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.5 mm-40 -36.13 -38.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.88 -57.27 11.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 8.1 tt0 -62.3 -49.51 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 54.6 mt -40.5 -35.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.07 -41.84 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 m -51.14 -43.58 61.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.6 mt -76.49 -53.38 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.42 162.11 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.2 m -90.78 -43.15 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 80.2 mt -80.06 -41.36 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 37.9 m -86.15 -38.27 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.938 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 21' ' ' CYS . 3.6 p-80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 8.6 p90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.88 0.371 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' PHE . 45.7 t -73.62 118.88 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.5 tm0? -114.93 143.49 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -70.58 126.27 92.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -23.93 30.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 p -99.56 -30.24 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.58 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.0 t -113.15 117.21 46.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.673 0.749 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.42 4.26 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.4 p -62.78 -45.73 91.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' H ' HG12 ' A' ' 36' ' ' VAL . 1.1 m-70 -48.64 131.82 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 7.4 mtmp? -152.82 105.53 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -120.34 126.1 49.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.1 p -80.51 -173.66 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -58.67 -53.74 63.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.74 20.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.21 -39.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -73.17 -39.91 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.0 mtp180 -54.28 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -41.89 -26.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 3.6 m -86.09 -33.87 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 55' ' ' ALA . 89.3 mt -65.48 -36.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -78.17 -44.46 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -50.87 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.2 mt-30 -73.66 -65.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.94 106.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -66.67 -42.22 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.6 m -70.56 -37.08 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.88 -147.21 21.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.6 154.39 21.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' NE2' ' A' ' 53' ' ' GLN . 94.7 t -134.27 105.91 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -74.06 164.81 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' TYR . 22.8 t -34.09 135.49 0.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.79 5.55 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 p -94.8 -28.94 15.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.46 32.01 8.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -117.22 -12.1 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 62.57 45.48 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.0 m -54.78 119.24 20.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.55 63.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.735 0.302 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -129.61 114.73 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -37.89 148.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.5 ptt? -119.87 156.72 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 79' ' ' MET . 22.0 mm100 -32.5 -45.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.87 -73.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -49.83 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 87' ' ' LEU . 74.2 mt -36.44 -36.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.46 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 84.8 m -54.51 -43.57 71.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 ' CG ' ' A' ' 47' ' ' ARG . 59.9 mt -73.25 -52.71 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 83' ' ' ILE . 37.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -80.49 101.09 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -131.79 125.2 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.66 165.99 10.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -55.82 -45.43 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -76.27 108.7 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.48 -168.44 14.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -69.55 129.36 91.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.5 mtt -133.59 165.66 24.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.37 174.44 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.47 86.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -142.77 144.19 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.32 139.42 6.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -47.63 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 16' ' ' LEU . 1.3 pt? -93.8 150.97 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.8 m -145.37 175.59 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -77.94 157.48 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -87.96 -31.64 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -87.55 -44.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.5 m -80.69 -45.67 16.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 63.26 39.08 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -125.52 -64.34 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.63 163.06 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 30' ' ' PHE . 42.8 mt -122.94 122.4 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -42.69 -46.93 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 29' ' ' HIS . 2.6 t70 -174.9 163.52 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.558 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 8.8 t -34.65 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 27' ' ' ASP . 12.1 m-70 -33.61 -37.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.622 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.1 p90 -45.06 147.19 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.0 t -77.37 114.22 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 7.7 tm0? -110.17 130.61 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.7 t -55.59 125.55 60.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.08 7.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.0 p -127.87 -37.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 39' ' ' HIS . 68.7 t -102.11 117.05 62.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -33.37 16.76 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 p -70.89 -43.91 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.765 ' H ' HG12 ' A' ' 36' ' ' VAL . 22.0 m170 -53.43 112.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -134.98 96.25 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -112.33 123.84 51.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.8 p -80.51 -173.82 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.52 -54.39 55.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 19.66 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.28 -40.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.8 -45.15 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HG3' HG22 ' A' ' 86' ' ' ILE . 50.5 mtp180 -47.49 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -41.06 -31.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 38.7 m -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HG21 ' A' ' 59' ' ' VAL . 86.9 mt -63.38 -36.9 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -81.62 -44.76 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.09 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' HG13 ' A' ' 59' ' ' VAL . 30.4 mt-30 -72.74 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.37 95.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.12 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.048 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.28 -26.51 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.75 -151.97 24.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -82.12 154.5 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.3 t -136.36 106.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -80.36 174.66 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 6.1 t -36.39 134.55 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.79 3.38 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -95.96 -29.23 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.45 28.59 8.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -113.28 -15.73 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mtpm? 59.29 48.35 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.36 127.57 88.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.67 139.28 56.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -49.8 121.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.53 2.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 m -82.91 151.81 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -98.43 39.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.636 HG13 ' HD2' ' A' ' 75' ' ' PRO . 92.1 t -138.65 138.29 21.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HD2' HG13 ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.75 140.74 43.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.5 p-90 -82.12 127.84 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -125.02 113.24 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ALA . 81.3 m-85 -34.82 140.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -100.68 146.3 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 79' ' ' MET . 18.9 mm-40 -31.69 -42.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -53.56 -72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' THR . 13.6 tt0 -58.64 -48.53 80.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 75.5 mt -33.63 -35.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.96 -38.41 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . 54.0 m -55.46 -44.4 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' HG3' ' A' ' 47' ' ' ARG . 65.4 mt -77.25 -42.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.91 -55.17 33.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 61.57 35.74 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.92 93.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -34.43 14.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -76.36 133.03 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.9 m -98.95 41.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.525 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -66.1 155.53 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -171.51 142.51 1.65 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.32 -151.17 23.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -91.2 157.05 17.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 p -108.21 -46.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.69 -162.49 12.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.6 m -153.64 155.45 31.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.05 54.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 47.9 tpp -82.66 86.61 6.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.02 106.5 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.09 -49.61 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.2 t -73.2 159.28 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.67 161.05 28.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.42 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 mt -147.07 169.09 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -164.3 164.6 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.08 162.22 24.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 m -88.6 -33.4 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.21 -43.39 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -79.99 -47.98 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 64.16 39.41 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -125.79 -75.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -150.35 161.73 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD22 ' CB ' ' A' ' 30' ' ' PHE . 15.7 mt -129.83 112.2 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' LEU . 4.3 pt-20 -34.44 -59.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -175.08 175.22 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -37.6 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' ASP . 13.8 m80 -39.37 -39.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.7 p90 -48.48 150.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' PHE . 52.6 t -78.09 116.71 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.1 tm0? -112.09 124.41 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -54.04 125.34 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.37 13.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 p -121.2 -37.43 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 39' ' ' HIS . 45.5 t -106.47 120.97 46.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -40.55 5.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 p -63.15 -45.68 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -51.46 109.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.7 mtmt -134.97 86.43 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -100.54 126.68 47.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.1 p -82.68 -173.86 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-30 -58.23 -53.92 61.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.691 0.757 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.77 20.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.75 -29.81 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.53 -46.92 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.4 mtm105 -45.43 -63.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -42.89 -29.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -86.12 -29.67 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 83' ' ' ILE . 80.0 mt -71.19 -35.52 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -81.84 -40.05 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.55 -50.33 65.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' NE2' HG13 ' A' ' 59' ' ' VAL . 28.2 mt-30 -71.47 -65.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.85 101.06 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.35 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -78.61 -40.93 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.07 -147.98 4.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.68 153.17 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.462 HG13 ' NE2' ' A' ' 53' ' ' GLN . 73.7 t -133.7 107.19 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -78.92 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.523 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.77 134.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.75 4.77 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 52.4 p -98.32 -27.68 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.51 31.07 8.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.4 -16.01 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 60.24 49.65 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 m -62.83 127.68 90.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 158.65 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.69 139.13 51.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.7 p -49.1 118.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.79 3.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.6 m -82.06 145.46 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -91.42 34.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG13 ' HD2' ' A' ' 75' ' ' PRO . 84.5 t -135.99 136.24 22.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.679 0.752 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.562 ' HD2' HG13 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.74 136.71 33.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.2 p-90 -73.37 143.42 46.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -138.18 110.54 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 83' ' ' ILE . 27.3 m-85 -33.75 137.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.1 ptm -106.27 162.37 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 70.9 mm-40 -33.83 -45.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.64 -75.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' ILE . 10.6 tt0 -54.88 -55.15 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.571 HG23 HG21 ' A' ' 50' ' ' ILE . 66.2 mt -35.34 -37.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -41.29 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m -52.03 -42.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 47' ' ' ARG . 81.1 mt -76.95 -56.92 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.9 mt -40.59 -53.13 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -86.58 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.23 92.54 2.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.4 45.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.9 m -102.16 156.18 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.4 t -52.89 146.36 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.47 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -137.65 140.15 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m 45.49 43.43 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.29 -98.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -145.23 140.0 27.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -114.0 94.56 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -105.44 -49.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 38.5 p -37.62 145.79 0.28 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.78 55.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -76.14 -44.53 37.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.22 141.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.53 95.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -164.04 172.2 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.77 92.5 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.1 5.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -44.57 108.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.2 p -128.93 126.0 38.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -48.69 155.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -88.4 -29.01 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 93.6 mt -89.26 -43.48 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 m -82.45 -49.47 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 66.24 43.61 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.16 -61.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.94 159.36 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD22 ' CB ' ' A' ' 30' ' ' PHE . 38.2 mt -123.38 116.24 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.3 mt-10 -36.31 -64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.1 t70 -169.95 173.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 27' ' ' ASP . 63.9 p -29.41 -38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 27' ' ' ASP . 32.7 m170 -31.09 -44.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.2 p90 -48.55 151.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.3 t -82.95 136.95 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 tp-100 -132.1 138.2 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.78 128.72 90.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.4 Cg_endo -69.74 -24.43 29.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -97.09 -37.66 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 39' ' ' HIS . 66.3 t -107.53 115.37 59.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.79 23.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -72.0 -44.45 63.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.729 ' H ' HG12 ' A' ' 36' ' ' VAL . 9.5 m170 -49.2 113.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 33.2 mttt -134.95 95.59 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -110.93 125.82 54.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.3 p -83.85 -173.08 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.614 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -59.67 -54.03 59.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 19.92 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.88 -35.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -73.52 -45.93 50.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.1 mtp180 -48.05 -62.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.01 -31.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 69.0 m -83.3 -33.96 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.923 HG21 HG23 ' A' ' 83' ' ' ILE . 77.3 mt -67.9 -37.88 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -76.18 -42.27 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.04 75.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 25.2 mt-30 -72.48 -64.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.81 103.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.27 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.9 m -73.78 -40.69 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -144.47 7.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.06 162.53 14.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.732 HG21 HG23 ' A' ' 50' ' ' ILE . 68.8 t -137.38 113.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.3 m-85 -81.74 169.78 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.0 t -36.37 134.87 0.58 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.7 4.76 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -98.93 -29.24 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.34 7.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' LYS . 30.7 mm-40 -122.2 17.12 10.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLU . 49.6 mtpt 33.71 47.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.9 m -60.35 115.75 14.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 72' ' ' SER . 6.4 mt -57.51 158.64 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.63 -30.26 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -118.1 -4.07 14.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 31.7 m -129.26 149.18 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.831 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.04 32.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG13 ' HD2' ' A' ' 75' ' ' PRO . 86.3 t -129.54 136.86 29.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.74 109.2 2.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.474 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 16.3 p-90 -42.26 104.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -99.79 114.9 28.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' ALA . 58.3 m-85 -34.21 150.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.0 mtp -111.49 141.64 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' MET . 89.0 mm-40 -34.02 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.82 -54.44 33.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.19 -45.78 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 50' ' ' ILE . 49.6 mt -38.02 -36.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.11 -41.55 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.1 m -49.78 -43.97 48.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.581 HG22 ' HG3' ' A' ' 47' ' ' ARG . 33.6 mt -77.43 -45.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.51 -43.36 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -70.24 -47.12 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.52 -161.93 41.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.24 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.5 p -68.17 167.57 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.5 m -105.09 108.55 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -51.21 130.99 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 m -143.26 132.98 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.09 97.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -119.88 126.57 51.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -86.88 -58.7 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.39 -173.84 55.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 p -132.46 84.36 51.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.74 7.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.38 35.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 86.42 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -139.25 149.3 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 m -57.76 -51.57 69.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.25 -177.11 45.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -27.33 26.36 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD13 HD12 ' A' ' 25' ' ' LEU . 3.9 pp -158.68 168.15 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 p -174.8 144.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -50.58 147.34 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -76.46 -34.06 58.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.3 mt -81.57 -44.47 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 m -81.69 -45.78 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 63.68 40.46 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.73 -74.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -149.43 -179.27 6.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD13 ' CD2' ' A' ' 30' ' ' PHE . 19.2 mt -146.24 112.39 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' LEU . 11.3 pt-20 -34.47 -51.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' HIS . 7.2 t0 -175.02 160.21 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.586 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.6 t -34.62 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.4 m-70 -37.19 -39.08 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CD2' HD13 ' A' ' 25' ' ' LEU . 21.6 p90 -41.06 142.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -67.99 108.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 16.4 tm0? -107.85 135.02 49.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.71 125.41 82.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 70' ' ' VAL . 54.5 Cg_endo -69.65 -19.95 36.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -103.51 -33.89 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 39' ' ' HIS . 53.5 t -108.65 117.97 52.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -40.8 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -63.74 -45.39 90.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.687 ' H ' HG12 ' A' ' 36' ' ' VAL . 13.8 m170 -49.36 131.72 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -152.26 108.22 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -123.86 122.85 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.4 p -79.07 -173.94 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.49 -54.13 59.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 20.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.479 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.65 -32.34 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.51 -44.95 20.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' ILE . 96.5 mtt180 -48.27 -61.1 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -42.18 -31.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 37.9 m -84.24 -30.83 25.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -68.54 -37.09 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.54 -43.32 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.1 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 24.5 mt-30 -75.56 -64.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.02 103.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -64.43 -44.56 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 m -67.02 -39.55 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.86 -140.42 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.67 158.44 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -137.4 104.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -74.52 167.38 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 60' ' ' TYR . 18.6 t -34.22 134.92 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.7 4.75 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -92.15 -30.62 15.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.73 27.64 10.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -117.78 -10.86 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 60.52 52.9 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.8 m -58.1 117.99 23.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 7.5 mt -36.06 154.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 34' ' ' PRO . 62.1 t -32.43 -66.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.24 47.13 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -141.75 157.28 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -82.15 15.11 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' ' CG ' ' A' ' 69' ' ' LEU . 87.5 t -126.6 125.57 24.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.8 167.95 23.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -90.86 123.16 34.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -115.0 115.33 26.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' ALA . 24.6 m-85 -34.6 142.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 80' ' ' GLN . 19.5 mmm -105.95 152.0 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' MET . 30.8 mm-40 -33.71 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.97 -68.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HG2' HD11 ' A' ' 86' ' ' ILE . 6.4 tt0 -58.92 -52.45 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.43 HG23 HG21 ' A' ' 50' ' ' ILE . 67.5 mt -37.37 -35.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 -40.27 11.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.5 m -53.85 -45.2 70.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 82' ' ' GLU . 47.8 mt -73.4 -58.08 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.7 mt -44.67 -49.58 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 m -68.42 -54.61 15.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.13 -156.61 53.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 8.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.1 p -75.93 147.58 38.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.9 m -123.6 148.89 45.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.452 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -150.09 138.92 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -133.12 102.94 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.07 -153.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -98.43 82.41 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m -81.22 114.19 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.98 113.96 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 p -49.51 142.17 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.92 11.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.5 mtt -139.85 108.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.05 145.12 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -97.52 -59.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -165.45 160.76 18.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 15' ' ' PRO . . . -146.4 101.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 14' ' ' GLY . 54.1 Cg_endo -69.72 -24.01 30.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.627 HD11 ' CE2' ' A' ' 30' ' ' PHE . 1.2 pt? -117.0 154.61 30.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.4 p -143.0 143.63 31.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.4 t -52.95 160.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -89.13 -27.58 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.8 mt -92.74 -40.81 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -85.48 -34.66 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m170 62.67 41.67 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.96 178.73 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 139.74 39.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 30' ' ' PHE . 12.5 mt -104.36 136.46 43.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -45.21 -61.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' HIS . 6.5 m-20 -173.24 169.31 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 27' ' ' ASP . 12.3 t -32.94 -34.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' ASP . 87.1 m-70 -32.85 -46.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CE2' HD11 ' A' ' 16' ' ' LEU . 11.0 p90 -41.85 148.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.8 t -78.79 115.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.3 tm0? -113.07 140.93 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.31 123.1 85.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -9.09 25.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 35.9 p -113.06 -36.6 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 39' ' ' HIS . 58.2 t -108.82 120.39 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.8 7.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -64.26 -45.93 85.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.638 ' H ' HG12 ' A' ' 36' ' ' VAL . 12.6 m170 -50.22 127.71 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -151.13 104.96 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.543 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -121.09 124.91 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.0 p -82.67 -173.69 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m-30 -57.93 -54.14 58.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.76 19.4 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.82 -32.34 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -76.14 -48.11 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' CG ' HG22 ' A' ' 86' ' ' ILE . 65.6 mtt180 -44.08 -65.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -38.03 -34.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.466 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.7 m -80.9 -38.0 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.593 HG22 ' HA ' ' A' ' 55' ' ' ALA . 69.9 mt -63.12 -35.67 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -80.63 -45.98 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.43 93.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.617 ' NE2' HG13 ' A' ' 59' ' ' VAL . 27.3 mt-30 -76.67 -62.35 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.74 100.31 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.593 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -55.03 -49.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -82.96 -30.89 27.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.47 -153.57 21.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -86.38 148.64 25.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 ' NE2' ' A' ' 53' ' ' GLN . 92.4 t -131.41 107.45 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.522 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.7 m-85 -80.86 170.36 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.489 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 1.8 t -34.56 135.5 0.39 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.81 2.21 3.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -92.95 -29.32 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.96 29.86 8.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -117.06 -19.51 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.1 mtpm? 63.52 50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -63.65 127.36 91.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 35' ' ' SER . 53.2 Cg_endo -69.8 147.72 63.24 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 72' ' ' SER . 3.5 mt -37.7 157.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -38.58 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -152.97 -30.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.564 ' HB2' HD13 ' A' ' 69' ' ' LEU . 17.8 m -65.0 138.91 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.49 47.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 ' O ' HD12 ' A' ' 69' ' ' LEU . 85.9 t -149.95 125.29 4.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 109.34 2.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 -46.02 123.75 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -119.3 111.82 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.465 ' O ' HD11 ' A' ' 83' ' ' ILE . 74.1 m-85 -34.19 136.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.0 ptt? -119.04 162.04 19.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.2 mp0 -33.12 -44.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.81 -75.14 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 7.6 tt0 -65.54 -50.09 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 77.3 mt -34.4 -36.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -92.2 -39.0 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' GLU . 95.9 m -53.25 -42.69 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.516 HG22 ' CG ' ' A' ' 47' ' ' ARG . 58.9 mt -80.64 -58.19 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 83' ' ' ILE . 30.6 mt -41.65 -51.19 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 38.26 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.78 178.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.75 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' PRO . 57.7 p 34.35 42.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.8 p -119.05 41.96 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.499 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -95.92 -49.61 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -91.39 103.79 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.99 157.82 31.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -85.08 -61.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -84.47 123.27 30.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.17 -100.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -127.99 77.57 76.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.99 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 ptm -74.02 129.22 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.13 161.09 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -43.45 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 t 64.2 45.41 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.94 -74.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -33.2 17.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' H ' HD23 ' A' ' 16' ' ' LEU . 1.6 pt? -102.83 138.91 39.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m -140.59 158.36 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.33 154.27 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -87.5 -35.66 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.78 -47.0 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -78.85 -47.37 16.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 61.8 41.89 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -127.71 -57.58 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.46 168.38 3.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 30' ' ' PHE . 45.6 mt -132.07 117.58 18.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -40.24 -61.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.1 m-20 -169.67 169.67 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 27' ' ' ASP . 74.6 p -30.18 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 27' ' ' ASP . 86.4 m-70 -30.57 -40.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' CB ' HD22 ' A' ' 25' ' ' LEU . 14.6 p90 -48.54 149.37 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' PHE . 48.7 t -81.01 140.73 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 37.1 tp60 -133.94 135.41 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 2.2 t -64.84 127.44 92.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -11.85 31.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -111.83 -38.77 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.9 t -105.8 118.21 55.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -65.18 -46.33 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' H ' HG12 ' A' ' 36' ' ' VAL . 16.6 m170 -47.29 113.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -134.96 97.82 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -113.52 122.86 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 3.6 p -81.3 -173.95 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.52 -53.95 60.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.69 20.67 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.28 -38.81 2.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.52 -48.21 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ILE . 71.8 mtt180 -44.49 -62.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -42.01 -32.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 48.1 m -84.53 -29.65 25.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 55' ' ' ALA . 89.0 mt -69.49 -32.26 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -84.52 -42.01 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.45 69.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 30.4 mt-30 -73.39 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.52 98.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -57.02 -43.51 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.8 m -93.17 -41.04 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.76 -151.38 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.75 160.81 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.459 ' H ' ' HB1' ' A' ' 77' ' ' ALA . 95.7 t -143.43 105.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 2.4 m-85 -77.8 168.96 19.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 60' ' ' TYR . 11.4 t -33.27 134.84 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.592 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.75 4.82 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.419 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -97.37 -32.66 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.87 31.1 6.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 66' ' ' LYS . 26.8 mm-40 -121.03 19.9 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 52.8 mtpt 32.21 46.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.47 118.19 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.74 44.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 76' ' ' TRP . 6.0 mt -69.26 140.6 54.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.9 p -46.89 118.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 -43.57 2.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.436 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -87.5 37.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.04 131.27 18.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.73 131.72 21.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.404 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.8 p-90 -70.96 123.55 22.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.41 116.09 26.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' O ' HD11 ' A' ' 83' ' ' ILE . 33.2 m-85 -36.72 136.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmm -106.11 157.72 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' MET . 14.4 mp0 -34.08 -39.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.89 -70.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -61.12 -47.16 87.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' HD12 ' A' ' 87' ' ' LEU . 77.6 mt -43.03 -35.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.09 -40.78 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.9 m -53.32 -43.23 67.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 25.9 mt -80.08 -58.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 83' ' ' ILE . 24.7 mt -40.66 -57.93 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -80.9 42.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.404 ' HA3' ' NH2' ' A' ' 47' ' ' ARG . . . -81.85 -164.97 34.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.25 35.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.1 t -80.03 87.63 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -160.81 139.36 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.478 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -92.65 42.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -121.32 121.29 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.26 59.35 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -118.89 82.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -87.76 -60.52 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.7 -131.7 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -124.6 81.23 60.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 82.68 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -151.58 164.84 35.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 12' ' ' ASN . . . -81.72 78.81 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' ALA . 8.7 m120 -162.35 120.6 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 p -123.03 104.9 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.77 65.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD23 ' NZ ' ' A' ' 40' ' ' LYS . 20.4 mt -56.91 125.77 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' CYS . 26.8 p -161.54 132.04 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' CYS . 49.6 t -38.06 157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -85.88 -29.72 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.6 mt -93.8 -45.93 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 m -79.95 -37.65 34.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.5 m80 63.75 40.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -135.83 -175.53 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.68 110.64 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.64 136.99 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -42.37 -59.77 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 29' ' ' HIS . 3.7 p-10 -175.42 170.45 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' HIS . 8.9 t -34.07 -37.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' CG ' ' OD2' ' A' ' 27' ' ' ASP . 55.7 m170 -33.97 -46.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 3.4 p90 -37.94 150.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.5 t -74.69 114.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 3.0 tm0? -110.94 130.56 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -57.91 124.44 69.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.92 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 p -122.68 -41.11 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 39' ' ' HIS . 56.0 t -104.11 121.68 46.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -39.04 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -64.47 -45.15 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' H ' HG12 ' A' ' 36' ' ' VAL . 18.0 m170 -53.8 108.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.537 ' NZ ' HD23 ' A' ' 16' ' ' LEU . 40.0 mtmt -134.99 96.91 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -109.78 130.45 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.7 p -84.64 -174.69 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.55 -53.88 60.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 21.3 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.379 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -36.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.74 -44.29 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.585 ' CG ' HG22 ' A' ' 86' ' ' ILE . 48.9 mtm180 -47.9 -63.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -40.44 -29.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -87.34 -34.85 18.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 86.5 mt -64.94 -34.1 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -83.37 -43.46 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.96 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.665 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.7 mt-30 -71.03 -61.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.45 98.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -53.15 -45.91 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -92.7 -33.95 14.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.87 -149.99 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.23 150.55 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' NE2' ' A' ' 53' ' ' GLN . 69.2 t -134.02 110.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.5 m-85 -81.44 172.26 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.17 134.69 0.37 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.81 4.05 2.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.2 p -97.4 -30.1 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.89 30.7 7.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -114.39 -17.04 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 61.65 46.59 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.26 126.89 85.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.26 38.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.09 140.86 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 70' ' ' VAL . 4.5 p -47.27 119.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.16 -43.73 2.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 m -76.75 151.6 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.94 38.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 75' ' ' PRO . 91.1 t -137.48 136.84 20.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.71 132.17 22.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.0 p-90 -73.11 126.48 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.86 117.74 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -39.63 136.35 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.4 ttm -100.03 146.15 27.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 79' ' ' MET . 6.2 mp0 -31.11 -41.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.79 -72.93 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.92 -45.32 94.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 69.8 mt -37.07 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.19 -40.61 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -52.76 -45.15 66.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.585 HG22 ' CG ' ' A' ' 47' ' ' ARG . 47.3 mt -79.21 -53.56 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 83' ' ' ILE . 13.9 mt -38.75 -56.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 t -89.05 -63.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.66 64.6 1.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -77.7 98.25 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.3 p -82.67 123.34 29.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -43.91 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -69.38 -47.49 64.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.79 143.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -108.82 140.54 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.62 159.36 27.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -148.66 131.44 7.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -58.28 144.98 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.53 151.39 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -170.18 164.61 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.1 p -139.78 160.61 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.91 175.55 33.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.538 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.31 69.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.0 mt 58.78 42.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -82.56 146.66 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -63.58 155.68 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.1 m -85.41 -38.47 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.7 mt -79.51 -44.62 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -80.96 -52.55 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 71.16 39.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -124.24 -65.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.73 145.77 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.75 HD13 ' CD2' ' A' ' 30' ' ' PHE . 24.1 mt -102.41 115.87 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.8 pt-20 -35.55 -55.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.1 p-10 -174.04 170.42 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASP . 9.7 t -33.49 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' ASP . 26.0 m170 -34.69 -42.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.75 ' CD2' HD13 ' A' ' 25' ' ' LEU . 9.7 p90 -44.88 152.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.3 t -82.32 113.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.8 tm0? -105.67 121.42 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.27 123.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.74 24.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -111.01 -34.71 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' H ' ' A' ' 39' ' ' HIS . 96.7 t -115.07 120.92 36.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.11 17.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 m -69.19 -44.7 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' H ' HG12 ' A' ' 36' ' ' VAL . 31.6 m170 -52.05 112.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 25' ' ' LEU . 32.5 mttm -134.97 81.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.603 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -96.44 123.32 40.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.4 p -80.16 -174.97 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.4 -54.29 56.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.77 20.83 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.97 -30.01 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.59 -42.27 20.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.4 mtp180 -51.43 -61.72 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.01 -23.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 67.0 m -89.3 -35.24 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.655 HG22 ' HA ' ' A' ' 55' ' ' ALA . 85.4 mt -66.39 -32.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -83.36 -45.13 14.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.05 70.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.1 mt-30 -71.57 -57.45 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 93.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -54.49 -41.95 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.7 m -91.92 -38.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.04 -149.82 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.42 171.47 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG21 HG23 ' A' ' 50' ' ' ILE . 79.1 t -151.84 107.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -79.65 172.51 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.7 t -35.71 134.03 0.52 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.603 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.9 p -97.28 -27.79 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 26.42 10.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -110.79 -20.35 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 mtpm? 65.39 43.93 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.9 m -54.61 117.8 14.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 142.81 48.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -45.83 131.73 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.55 122.5 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 -40.8 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -86.17 174.75 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -116.5 37.91 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -136.32 130.59 18.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.1 Cg_endo -69.79 122.37 9.04 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -60.28 112.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.67 122.19 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' O ' HD11 ' A' ' 83' ' ' ILE . 32.1 m-85 -45.72 134.58 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -110.69 163.72 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' MET . 16.4 mm-40 -33.66 -44.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.7 -78.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 5.5 tt0 -54.67 -52.57 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.474 HD11 ' O ' ' A' ' 78' ' ' PHE . 73.5 mt -37.04 -36.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.03 -43.12 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 m -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 79.7 mt -72.57 -59.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 mt -43.26 -48.18 6.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.7 t -48.82 -56.25 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . 67.92 -144.8 43.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 89' ' ' GLY . 53.2 Cg_endo -69.78 130.03 18.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.0 m -79.74 46.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m 42.37 43.11 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.492 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -86.43 -50.08 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m 59.63 43.91 15.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.65 66.91 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -114.25 109.06 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.5 p -138.97 134.72 33.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.37 138.87 5.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -148.8 148.34 27.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.6 14.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -64.65 133.57 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.99 -46.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -121.55 130.35 53.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 p -88.17 -35.16 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.34 159.72 52.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 173.39 11.05 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -39.33 115.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -146.4 126.86 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 49.0 t -38.46 157.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 m -88.51 -36.59 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.7 mt -84.65 -45.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -79.57 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 74.14 36.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -126.93 178.38 6.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.84 93.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.874 HD13 ' CD2' ' A' ' 30' ' ' PHE . 39.9 mt -41.77 149.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.2 pm0 -68.2 -40.25 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.7 t70 -177.35 155.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.577 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 11.1 t -35.11 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.4 m170 -32.34 -35.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.874 ' CD2' HD13 ' A' ' 25' ' ' LEU . 30.7 p90 -48.4 151.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.7 t -78.57 112.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 5.3 tm0? -107.74 126.22 52.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.6 t -58.52 126.3 78.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -11.7 31.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 p -112.95 -38.27 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.8 t -104.41 119.56 53.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.676 0.751 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.9 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -63.41 -44.99 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.7 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -49.32 110.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 24.8 mttt -135.0 87.7 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -104.09 123.24 46.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -84.11 179.72 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -51.2 -54.57 36.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.5 Cg_endo -69.74 21.41 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.54 -39.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.28 -43.22 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.2 mtp180 -46.75 -63.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -41.7 -29.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -86.16 -31.31 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HG23 ' A' ' 83' ' ' ILE . 84.7 mt -69.55 -30.97 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -86.32 -39.27 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.16 62.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 34.5 mt-30 -70.25 -62.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.86 99.28 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.01 80.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.4 m -83.4 -45.59 13.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.01 -150.19 6.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.67 160.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG13 ' NE2' ' A' ' 53' ' ' GLN . 70.1 t -142.22 116.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.3 m-85 -87.67 174.65 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.515 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.3 t -33.43 134.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 p -94.67 -30.37 14.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.72 30.24 7.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -114.03 -18.1 11.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 63.01 49.44 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.72 124.6 85.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.81 68.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.54 141.41 57.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.1 p -47.44 118.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.79 -43.79 2.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -76.47 145.8 38.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -93.06 36.18 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.2 t -136.25 138.9 28.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 111.181 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.78 144.38 53.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 11.4 p-90 -85.25 105.92 16.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -98.36 112.44 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.658 ' O ' HD11 ' A' ' 83' ' ' ILE . 59.5 m-85 -33.55 114.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.3 tmm? -62.47 132.63 53.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 83' ' ' ILE . 42.8 mm-40 -33.06 -40.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.76 -61.59 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.69 -47.05 85.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.777 HG23 HG21 ' A' ' 50' ' ' ILE . 56.4 mt -36.05 -35.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -42.29 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -53.25 -44.05 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 47' ' ' ARG . 93.9 mt -71.95 -57.77 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 mt -41.28 -42.77 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.8 t -85.17 -54.27 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.19 -175.74 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.24 36.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 t -104.33 126.94 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -118.98 90.12 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.46 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -73.07 147.9 44.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -136.77 136.28 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.01 149.69 19.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 p -56.89 170.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -41.23 147.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -172.02 75.49 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -35.89 143.73 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.16 59.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.13 133.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 15' ' ' PRO . . . -129.63 95.84 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -142.9 174.86 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 t 56.37 42.42 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.43 65.79 2.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' CB ' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.74 -32.1 19.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 16' ' ' LEU . 3.9 pp -113.32 127.08 56.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.4 m -126.32 161.03 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.38 154.98 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.18 -38.53 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 80.3 mt -78.52 -46.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.0 m -78.57 -43.46 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 62.73 43.04 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 48.3 mt-10 -125.16 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 1.3 ptt-85 -174.08 171.37 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 30' ' ' PHE . 33.2 mt -136.99 121.56 18.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -42.93 -54.6 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.7 m-20 -175.11 173.96 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' HIS . 7.3 t -34.12 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' ASP . 86.3 m-70 -33.04 -42.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 25' ' ' LEU . 8.1 p90 -50.4 158.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.6 t -83.02 102.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.7 tm0? -100.14 130.89 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 5.2 t -65.84 122.93 83.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.71 24.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -108.75 -40.04 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.46 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 t -112.1 121.46 39.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.53 22.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 m -70.99 -40.05 72.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.4 m170 -56.99 111.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 16.0 mtmt -135.0 87.28 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -102.09 128.49 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.0 p -85.55 -173.27 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -60.62 -53.72 61.71 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.76 20.7 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.42 -29.28 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.1 -49.87 11.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ILE . 61.6 mtt180 -43.13 -64.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -41.49 -33.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -82.88 -32.4 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 55' ' ' ALA . 83.2 mt -68.05 -34.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -80.44 -44.37 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.09 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.48 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.1 95.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.678 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -52.99 -45.2 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 p -90.45 -42.53 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.8 -149.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.04 149.53 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG21 HG23 ' A' ' 50' ' ' ILE . 92.3 t -132.4 104.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -78.32 178.26 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.1 t -40.99 134.32 1.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.0 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 p -98.4 -28.2 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 30.06 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.88 -17.53 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.4 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 24.9 mtmm 61.31 42.21 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.22 120.58 21.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.13 49.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -46.74 131.52 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.76 121.6 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.4 -39.13 2.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m -87.06 176.27 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -119.31 40.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -140.12 131.37 14.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.751 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 116.85 4.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 -57.24 122.51 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -118.33 116.63 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 77' ' ' ALA . 56.3 m-85 -34.23 140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.4 mmm -109.15 155.25 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 8.8 mm-40 -34.96 -43.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.41 -70.29 1.02 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.26 -50.95 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.514 HG23 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -38.86 -36.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.75 -38.05 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.9 m -50.82 -41.77 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.458 HG22 ' CG ' ' A' ' 47' ' ' ARG . 36.0 mt -83.57 -60.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ILE . 38.5 mt -36.21 -50.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -66.38 -62.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.39 154.58 12.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.81 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.656 2.237 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.4 p -61.81 118.24 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -46.12 -59.57 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.479 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -66.3 -45.42 80.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -98.7 82.59 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -151.83 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -128.36 108.5 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -107.72 110.71 22.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.89 40.17 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.4 p -110.03 94.14 16.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.21 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 142.09 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 171.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -79.49 46.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 m -81.44 45.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.71 84.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 177.15 5.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.376 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.7 mt -42.47 122.84 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.57 127.28 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 26.9 t -49.28 150.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.6 m -81.29 -25.63 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -93.41 -41.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 m -85.25 -47.77 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 64.04 41.96 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -112.51 -72.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' NH1' ' HG2' ' A' ' 26' ' ' GLU . 7.2 ppt_? -173.58 147.23 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.0 mt -134.91 78.58 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HG2' ' NH1' ' A' ' 24' ' ' ARG . 4.6 pt-20 -78.69 45.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.18 176.06 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.548 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 15.3 t -111.14 -31.31 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' THR . 6.4 m80 -34.67 -40.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' A' ' 28' ' ' THR . 30.6 p90 -42.78 147.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' PHE . 53.9 t -81.14 118.81 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 8.1 tm0? -115.16 134.72 54.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.4 t -63.35 128.87 93.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.428 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.9 Cg_endo -69.72 -15.58 37.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.252 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -109.22 -41.03 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 39' ' ' HIS . 49.3 t -100.78 119.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m -63.26 -45.22 92.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.639 ' H ' HG12 ' A' ' 36' ' ' VAL . 20.9 m170 -49.29 108.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 5.8 mtmp? -134.66 91.37 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -105.26 126.19 51.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.2 p -81.84 -173.43 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.59 -54.11 59.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.81 19.99 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.57 -30.34 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.37 -46.98 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.6 mtm105 -45.45 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.07 -30.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.461 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.5 m -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.695 HG23 HG21 ' A' ' 59' ' ' VAL . 77.5 mt -62.9 -35.38 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.53 -46.57 17.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.61 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 31.0 mt-30 -71.73 -63.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.98 102.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -64.91 -43.5 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -85.91 -20.96 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.12 -150.37 22.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -82.84 151.33 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 HG23 ' A' ' 50' ' ' ILE . 93.6 t -128.84 104.1 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.584 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -76.36 169.85 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 11.1 t -36.93 134.94 0.64 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.72 5.5 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 p -100.21 -26.33 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.79 28.89 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.9 mm-40 -118.97 13.94 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 12.5 mtmt 33.99 50.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 m -62.93 117.26 30.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 163.61 37.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.82 152.37 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 71' ' ' GLY . 6.9 p -71.13 -43.48 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -97.96 20.74 49.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.483 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -161.84 175.6 11.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 35.5 t30 -109.95 38.19 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 75' ' ' PRO . 99.2 t -132.9 139.06 33.34 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.79 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 27.8 p-90 -45.68 108.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -107.07 112.5 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' O ' HD11 ' A' ' 83' ' ' ILE . 89.6 m-85 -33.58 138.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -103.4 161.23 14.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.9 mm-40 -35.02 -44.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.86 -70.64 0.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 tt0 -55.61 -56.47 19.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.586 HG23 HG21 ' A' ' 50' ' ' ILE . 71.5 mt -35.3 -35.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -91.9 -41.43 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.2 m -51.3 -42.91 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' CG ' ' A' ' 47' ' ' ARG . 38.0 mt -77.81 -53.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.67 -48.45 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m -133.62 77.21 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.8 -94.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.52 19.43 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.23 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -42.49 -56.71 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.9 t -59.35 96.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -76.37 100.98 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -170.8 158.92 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.18 -60.0 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -68.77 164.98 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -84.56 111.59 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.88 -89.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 p -171.54 138.2 1.08 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 88.88 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.2 mtp -123.24 164.31 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.0 106.52 7.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -115.97 -55.47 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 83.4 p -104.97 150.12 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' HA2' ' CD ' ' A' ' 24' ' ' ARG . . . -111.46 63.33 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 -43.47 2.65 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.602 HD13 HD12 ' A' ' 25' ' ' LEU . 3.8 pp -137.26 162.69 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -154.78 137.51 15.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t -43.14 159.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -90.19 -29.71 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.5 mt -89.74 -42.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.5 -46.1 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 75.01 38.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.34 -178.75 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' CD ' ' HA2' ' A' ' 14' ' ' GLY . 50.6 mmt-85 -72.67 92.7 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.968 HD13 ' CD2' ' A' ' 30' ' ' PHE . 16.2 mt -41.11 150.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASP . 2.4 pp20? -64.02 -48.8 74.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 4.3 m-20 -172.62 158.43 4.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.524 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.1 t -38.02 -34.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' THR . 12.5 m170 -34.25 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.968 ' CD2' HD13 ' A' ' 25' ' ' LEU . 10.4 p90 -46.22 155.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 ' HZ ' ' A' ' 78' ' ' PHE . 55.6 t -77.51 113.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.6 tm0? -109.03 125.48 52.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -51.09 126.8 27.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.922 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' CG ' ' CD1' ' A' ' 76' ' ' TRP . 53.7 Cg_endo -69.78 2.38 3.6 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 p -133.43 -39.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 39' ' ' HIS . 59.2 t -99.91 119.45 59.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.01 2.34 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.1 p -61.07 -41.94 97.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . 24.6 m170 -56.5 109.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 15.8 mtmm -134.93 90.08 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -103.42 129.24 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.9 p -83.79 -176.58 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 m-30 -55.21 -54.47 50.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.82 20.08 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.01 -34.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -80.05 -41.2 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . 58.9 mtp180 -51.0 -61.87 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -40.72 -27.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -86.56 -34.67 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 83' ' ' ILE . 50.7 mt -64.12 -29.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -88.12 -42.27 12.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.59 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' OE1' HG13 ' A' ' 59' ' ' VAL . 69.5 mt-30 -66.88 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.73 84.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -50.17 -41.92 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -87.64 -36.11 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.96 -152.2 21.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.44 163.28 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.562 HG13 ' OE1' ' A' ' 53' ' ' GLN . 60.1 t -142.61 109.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -84.84 -179.53 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.474 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 34.0 t -42.52 135.39 2.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.83 4.27 2.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -96.35 -29.97 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.73 25.35 9.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' LYS . 75.9 mm-40 -116.45 15.2 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mtmt 34.69 45.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 13.8 m -56.85 112.47 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.8 142.33 47.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 5.4 mt -49.92 165.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' SER . 3.3 p -72.64 128.6 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 37.37 32.49 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' LEU . 50.5 m -117.63 -26.69 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.4 m120 63.67 29.73 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -143.57 131.96 11.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.78 103.02 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.289 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.536 ' CD1' ' CG ' ' A' ' 34' ' ' PRO . 5.5 p-90 -44.15 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -97.04 107.48 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HZ ' HG11 ' A' ' 31' ' ' VAL . 44.7 m-85 -33.55 120.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.7 mtt -79.14 146.18 33.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -34.53 -39.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.15 -56.08 22.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 10.1 tt0 -64.45 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -50.09 -34.57 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.51 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 m -56.21 -47.13 78.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.8 mt -71.21 -47.9 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.23 -56.89 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -134.77 78.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.16 21.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 1.83 4.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -123.27 130.24 52.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.3 p -149.46 121.35 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.461 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 t 51.01 42.11 28.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -134.54 105.73 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.8 99.77 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -113.28 115.68 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -55.73 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.3 -170.9 41.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 p -136.85 133.26 18.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.736 . . . . 0.0 110.851 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 109.79 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.09 84.98 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.86 37.87 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.01 111.93 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -60.43 121.67 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.19 73.68 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -150.44 122.49 8.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -130.09 161.77 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.89 158.02 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -86.85 -38.88 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 63.1 mt -82.17 -46.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.17 -44.4 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.61 39.56 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -122.81 -75.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -153.83 167.74 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 HD13 ' CD2' ' A' ' 30' ' ' PHE . 41.9 mt -133.88 112.6 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -39.17 -45.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.8 m-20 -176.26 166.46 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.569 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 63.9 p -40.21 -28.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 28' ' ' THR . 19.4 m170 -33.1 -38.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CD2' HD13 ' A' ' 25' ' ' LEU . 19.9 p90 -43.7 150.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.9 t -74.67 107.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 4.2 tm0? -102.18 127.44 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -56.41 125.88 67.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.69 2.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 p -132.61 -43.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.511 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 11.1 t -100.03 119.57 59.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -40.27 5.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -61.66 -43.3 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.0 m170 -56.09 109.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 4.3 mtmp? -135.01 88.47 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -102.99 125.25 49.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -79.68 -173.22 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -59.03 -53.88 62.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.76 21.07 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.51 -40.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -72.16 -47.7 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 86' ' ' ILE . 15.9 mtp-105 -45.29 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -41.67 -32.96 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.4 m -82.47 -34.74 27.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 59' ' ' VAL . 79.9 mt -62.44 -35.3 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -81.42 -45.53 15.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.23 78.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 27.6 mt-30 -71.4 -60.25 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.63 100.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.73 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.3 p -95.1 -36.18 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.16 -151.1 5.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.61 157.53 21.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 50' ' ' ILE . 98.4 t -136.53 109.92 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -85.55 174.59 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.0 t -35.19 134.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.8 3.79 2.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 24.6 p -97.78 -29.21 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 30.32 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -114.32 -17.03 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 61.98 48.16 5.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.4 m -60.72 123.91 76.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.45 45.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.732 2.288 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.1 136.37 48.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -44.55 120.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.23 -43.58 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.0 m -76.99 147.51 36.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.35 38.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 75' ' ' PRO . 84.9 t -138.76 138.57 21.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.73 137.53 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.9 p-90 -77.88 110.51 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.38 115.48 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 73.5 m-85 -38.99 158.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' GLN . 22.4 ptp -129.44 157.37 42.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.6 mp0 -32.87 -43.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -75.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -46.58 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 50' ' ' ILE . 69.1 mt -41.21 -37.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -41.11 11.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 96.1 m -53.01 -40.96 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.673 HG22 ' HG3' ' A' ' 47' ' ' ARG . 64.3 mt -76.28 -54.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.6 mt -46.08 -56.21 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.28 44.69 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.58 172.65 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.78 0.88 5.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' PRO . 48.8 m -35.3 -61.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' SER . 91.2 p -35.02 -52.07 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -83.04 128.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -120.79 157.91 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.25 125.29 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -118.39 80.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -54.42 -53.23 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' A' ' 9' ' ' PRO . . . 92.9 125.13 3.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -102.47 96.89 7.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.79 123.31 9.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 mmt -80.31 143.47 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.79 175.79 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -123.75 114.09 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -101.08 150.34 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.35 81.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.0 mt -150.97 111.29 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -150.69 137.06 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -49.17 153.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.83 -36.08 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.8 mt -81.75 -46.42 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.5 m -79.41 -32.57 42.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.6 m170 62.72 43.07 7.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.55 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm105 -65.35 133.52 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -109.55 128.01 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 51.8 mt-10 -39.53 -31.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 25.9 t0 71.46 25.0 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.0 -34.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -132.09 80.15 1.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 32' ' ' GLN . 24.7 p90 -157.31 148.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' PHE . 58.0 t -85.62 116.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.2 tm0? -115.24 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.8 t -56.01 125.93 64.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.27 18.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 p -119.77 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 21.6 t -101.02 119.34 58.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.05 9.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -66.52 -45.08 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.3 m170 -52.29 111.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.86 95.35 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -110.33 123.48 49.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.4 p -81.93 -178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.18 -54.55 43.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.74 21.9 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.35 -34.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -75.42 -48.22 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 50' ' ' ILE . 49.4 mtm180 -42.01 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -40.32 -33.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 50.9 m -81.51 -34.95 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.694 HG21 HG23 ' A' ' 83' ' ' ILE . 79.1 mt -64.58 -34.17 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -83.19 -45.15 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 23.2 mt-30 -78.33 -59.89 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.07 101.52 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.43 97.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 t -94.62 -28.82 15.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.19 -151.5 22.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -80.49 165.2 22.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG21 HG23 ' A' ' 50' ' ' ILE . 90.9 t -145.03 105.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -79.65 171.47 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' TYR . 4.7 t -36.37 134.51 0.59 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.55 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 4.98 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.3 p -98.07 -28.58 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.98 30.21 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.27 -17.25 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 63.72 48.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.73 121.69 76.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.68 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -70.66 158.97 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 p -77.24 -39.11 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.43 20.2 45.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -161.36 175.32 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -110.26 36.56 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 75' ' ' PRO . 89.1 t -129.57 139.47 35.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 108.84 2.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -46.59 111.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -109.23 113.51 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' ALA . 88.0 m-85 -37.18 139.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 80' ' ' GLN . 11.5 ptp -105.36 149.13 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.8 tp-100 -32.07 -40.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -52.83 -73.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.5 tp10 -60.51 -49.51 77.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.694 HG23 HG21 ' A' ' 50' ' ' ILE . 63.8 mt -33.38 -37.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -89.43 -39.46 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' GLU . 53.0 m -53.42 -42.67 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.18 -55.42 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -41.72 -52.04 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -108.23 39.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.96 112.78 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 94.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.1 p -130.39 145.58 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -53.42 -60.44 3.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -119.2 157.19 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -108.02 -50.41 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.37 -147.35 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -161.16 110.83 1.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -116.97 162.32 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 -177.54 18.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -151.2 141.88 14.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.16 64.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.0 131.11 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.34 119.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.68 159.42 25.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -134.1 153.92 51.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 15' ' ' PRO . . . 134.48 95.89 0.53 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HG2' HD23 ' A' ' 16' ' ' LEU . 54.0 Cg_endo -69.71 -30.78 21.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 15' ' ' PRO . 2.3 pt? -136.35 134.88 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 p -124.97 133.66 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 37.5 t -42.35 154.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -84.26 -32.84 24.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 89.0 mt -87.41 -47.03 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.4 m -79.92 -46.9 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.09 39.7 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -110.57 -67.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -174.94 161.7 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -154.76 127.22 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' THR . 1.5 pm0 -79.98 41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 28' ' ' THR . 14.9 t0 33.83 33.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.0 p -158.97 136.96 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 74.96 40.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -147.6 147.23 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.3 t -85.41 148.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 46.2 tp60 -140.66 145.5 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -73.39 130.31 84.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.78 24.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -119.66 -40.9 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.7 t -101.28 115.15 65.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -42.79 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.1 p -59.8 -34.76 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.9 m170 -60.14 108.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HD3' HD12 ' A' ' 16' ' ' LEU . 28.8 mttt -130.08 98.85 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 2.0 m-85 -113.01 118.75 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -78.36 -178.42 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.606 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.07 -54.52 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.669 0.747 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.77 21.87 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -39.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -73.56 -42.8 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 51.7 mtp180 -47.1 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -43.81 -30.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.491 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 59.8 m -82.71 -34.56 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.776 HG21 HG23 ' A' ' 83' ' ' ILE . 82.5 mt -65.29 -38.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -80.25 -43.91 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.9 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 28.2 mt-30 -71.87 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.96 94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.671 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.11 -45.68 79.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -82.62 -38.37 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.18 12.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.59 170.9 15.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 50' ' ' ILE . 95.1 t -151.19 105.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -78.35 173.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 10.0 t -35.74 134.58 0.52 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.593 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.2 Cg_endo -69.81 3.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 p -94.2 -29.27 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.23 29.84 8.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -116.43 -13.6 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 60.96 46.9 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.3 m -58.56 121.14 50.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.95 69.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 74' ' ' VAL . 4.3 mt -56.3 141.01 43.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -42.77 111.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.75 -44.61 2.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m -72.92 132.38 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.37 41.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' O ' HD12 ' A' ' 69' ' ' LEU . 46.7 t -135.83 128.24 17.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.78 130.94 20.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 14.8 p-90 -71.88 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.22 130.57 52.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -49.7 145.59 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.4 ttm -102.0 145.9 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 79' ' ' MET . 23.5 mp0 -33.6 -45.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.05 -69.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ILE . 9.8 tt0 -55.56 -51.8 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 HG21 ' A' ' 50' ' ' ILE . 69.3 mt -35.44 -37.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -41.69 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.3 m -51.84 -42.18 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 47' ' ' ARG . 47.1 mt -76.68 -47.29 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -52.52 -54.47 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.7 t -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.57 -166.92 28.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.0 t -39.04 -65.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 m -113.7 131.71 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.535 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.63 -57.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.404 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -96.0 127.51 42.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.65 166.15 54.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -113.69 162.11 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m -100.3 -48.46 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 -156.97 26.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -125.07 89.4 52.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.634 0.731 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 104.99 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttm -107.19 102.31 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.29 149.47 49.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -70.55 82.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 p -171.45 173.64 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.48 84.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.68 ' HB2' HD12 ' A' ' 16' ' ' LEU . 53.4 Cg_endo -69.79 -52.21 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -144.38 159.29 42.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.2 p -137.08 143.11 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.6 t -54.17 155.62 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -86.13 -36.51 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 mt -81.38 -45.07 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.57 -45.89 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 62.83 42.14 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -129.43 -73.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 mmt-85 -151.78 168.31 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 40' ' ' LYS . 19.5 mt -136.37 113.11 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.1 mt-10 -34.3 -64.87 0.22 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.7 m-20 -171.34 175.31 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASP . 34.3 p -33.34 -34.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.2 m-70 -34.27 -45.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 6.5 p90 -44.26 155.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -85.12 114.66 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 tm0? -110.76 124.73 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -55.03 128.11 64.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.23 35.91 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 p -110.89 -38.46 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.4 t -103.62 120.03 52.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -43.4 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.609 ' H ' HG12 ' A' ' 36' ' ' VAL . 14.7 m170 -48.17 109.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mtmp? -134.99 83.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -98.25 124.19 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.7 p -81.97 178.8 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -51.89 -54.6 38.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.78 21.55 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.4 m -131.93 -36.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.58 -42.48 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ILE . 57.8 mtp180 -50.74 -62.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -38.39 -29.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ARG . 5.5 m -87.04 -37.61 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 83' ' ' ILE . 85.6 mt -63.39 -31.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -83.97 -45.14 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.1 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.9 mt-30 -69.46 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.81 92.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -51.47 -42.37 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.0 m -91.75 -40.12 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.22 -150.44 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.29 159.11 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.603 HG21 HG23 ' A' ' 50' ' ' ILE . 76.9 t -141.66 108.48 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -80.36 168.86 18.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.6 t -34.17 134.6 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.594 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.79 4.56 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 25.1 p -98.06 -29.03 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.22 7.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.65 -16.85 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 63.45 48.46 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 m -63.52 121.24 69.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.01 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.59 158.45 24.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -75.46 -38.45 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.34 18.51 44.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -159.87 174.59 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.88 35.56 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HD2' ' A' ' 75' ' ' PRO . 80.4 t -125.15 135.3 26.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG13 ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 105.98 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -42.05 118.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.62 115.3 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' O ' HD11 ' A' ' 83' ' ' ILE . 67.1 m-85 -44.99 143.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -119.5 159.39 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' MET . 77.6 mm-40 -31.21 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.69 -80.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' THR . 5.1 tt0 -62.08 -52.12 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 50' ' ' ILE . 66.3 mt -32.16 -36.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.07 -41.12 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' GLU . 49.6 m -55.57 -42.9 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.479 HG22 ' CG ' ' A' ' 47' ' ' ARG . 82.2 mt -76.32 -52.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.16 -49.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 m -38.25 -64.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 91.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.56 11.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.7 t -75.9 161.15 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.7 t -112.29 106.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.497 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -92.45 170.93 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -167.26 139.87 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.37 -133.61 2.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -117.16 112.31 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -62.4 -27.43 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.19 -96.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -50.3 145.95 9.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.754 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.94 55.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' ALA . 11.5 mmt -46.13 -47.42 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' MET . . . -36.87 -44.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -54.81 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -160.48 141.08 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' N ' ' HD2' ' A' ' 15' ' ' PRO . . . 168.02 -62.76 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 14' ' ' GLY . 54.2 Cg_endo -69.73 -50.72 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 0.0 112.377 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -150.67 125.46 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.26 123.88 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.49 157.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -91.46 -25.95 19.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.412 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.2 mt -94.72 -42.04 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 m -88.13 -36.75 16.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 64.31 40.73 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -126.05 179.43 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -70.63 96.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' CB ' ' A' ' 30' ' ' PHE . 26.2 mt -46.19 137.63 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.26 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 29' ' ' HIS . 1.2 p30 -168.78 168.18 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t -29.92 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 27' ' ' ASP . 28.1 m170 -32.64 -43.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CB ' HD22 ' A' ' 25' ' ' LEU . 8.7 p90 -48.28 151.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' PHE . 60.6 t -84.59 144.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 38.8 tp60 -137.65 135.47 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 4.8 t -67.72 129.86 93.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.24 29.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.2 p -96.4 -36.69 10.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.8 t -108.13 116.77 56.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -34.85 13.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.8 p -67.41 -46.13 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.64 ' H ' HG12 ' A' ' 36' ' ' VAL . 10.5 m170 -45.79 111.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -132.61 93.98 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -110.28 125.8 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -84.92 -175.69 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -55.62 -54.19 54.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.8 20.96 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.481 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.22 -44.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.47 -44.99 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.0 mtp180 -46.76 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -41.14 -32.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.457 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.9 m -80.77 -35.44 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.686 ' HA ' HG21 ' A' ' 59' ' ' VAL . 75.7 mt -60.96 -35.66 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -82.86 -42.78 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.94 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.729 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.8 mt-30 -73.26 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.64 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.7 -40.13 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -88.48 -39.73 13.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.1 -151.6 8.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -87.29 155.4 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.729 HG13 ' NE2' ' A' ' 53' ' ' GLN . 86.2 t -135.02 113.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 66' ' ' LYS . 2.3 m-85 -81.2 174.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.8 t -38.02 135.15 0.84 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.77 4.38 2.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 p -95.62 -32.45 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.95 6.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 66' ' ' LYS . 79.6 mm-40 -121.74 19.9 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 43.3 mtpt 32.09 48.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.07 114.7 12.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 161.57 45.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.35 136.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 70' ' ' VAL . 8.1 p -45.93 123.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.45 -44.55 1.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -79.27 158.73 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -104.23 39.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.38 128.08 19.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.67 116.8 4.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.0 p-90 -58.41 118.38 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.1 119.02 33.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 86' ' ' ILE . 38.0 m-85 -38.87 148.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmt -124.43 161.67 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.9 OUTLIER -32.52 -41.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.7 -70.05 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 tp10 -60.78 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 63.1 mt -37.62 -37.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.74 -41.49 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.5 m -53.97 -45.72 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.568 HG22 ' HG3' ' A' ' 47' ' ' ARG . 28.4 mt -76.23 -45.48 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 83' ' ' ILE . 19.6 mt -54.64 -60.31 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 47.19 41.43 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.75 -93.47 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 5.07 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.7 t -84.72 97.24 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.3 m -117.15 111.49 19.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.49 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -101.93 101.04 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -86.27 159.58 19.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.17 -88.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -79.4 112.83 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -80.34 49.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.6 161.73 52.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -75.73 134.52 72.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.8 3.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.5 173.69 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.91 140.52 15.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -93.36 88.12 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.0 m -63.99 99.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.97 -76.44 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mp -39.85 123.33 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.3 m -129.41 143.12 50.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.39 159.15 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 m -88.64 -36.85 16.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 70.2 mt -84.37 -44.93 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 38.4 m -81.38 -23.41 37.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 34.8 p80 48.73 45.25 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 28.6 mt-10 -141.45 -174.98 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -63.24 128.24 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 30' ' ' PHE . 8.7 mt -93.78 141.44 28.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.19 -60.42 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' HIS . 16.8 m-20 -175.09 169.71 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' HIS . 11.2 t -33.88 -34.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASP . 51.3 m80 -33.62 -42.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.2 p90 -47.04 159.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' PHE . 42.4 t -82.16 113.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.3 tm0? -109.7 123.36 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -49.79 127.44 19.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.81 4.08 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -133.35 -40.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.717 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.4 t -99.04 118.71 62.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.77 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 p -60.99 -39.18 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.717 ' H ' HG12 ' A' ' 36' ' ' VAL . 19.8 m170 -58.99 107.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.6 mtmt -133.04 86.55 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -99.15 128.81 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.5 p -85.21 -176.45 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -56.52 -54.18 56.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.81 20.46 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.39 -38.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -74.07 -45.51 48.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' CG ' HG22 ' A' ' 86' ' ' ILE . 13.0 mtp-105 -48.28 -58.52 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.26 -33.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 m -82.96 -29.98 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 83' ' ' ILE . 89.9 mt -68.07 -36.91 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -80.66 -42.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.35 76.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.2 mt-30 -73.64 -60.77 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.14 105.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.42 93.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -79.43 -35.71 40.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.98 -149.15 19.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.14 152.14 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' NE2' ' A' ' 53' ' ' GLN . 82.2 t -131.15 109.9 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -78.61 173.48 12.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 t -37.65 134.65 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.596 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.79 4.88 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -98.92 -27.99 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.27 7.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -115.65 -16.57 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 63.27 50.32 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.05 119.54 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.27 24.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.29 153.43 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.15 -36.75 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.89 17.45 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -161.05 177.39 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -110.58 36.7 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 75' ' ' PRO . 93.7 t -130.07 139.57 36.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.81 113.23 3.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -49.57 114.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.27 124.95 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -45.52 133.33 7.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -97.0 146.1 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.484 ' N ' ' HG3' ' A' ' 79' ' ' MET . 3.5 mp0 -32.18 -44.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.44 -63.54 5.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.95 -48.06 75.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.847 HG23 HG21 ' A' ' 50' ' ' ILE . 80.3 mt -38.2 -36.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.37 -42.18 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 m -49.47 -42.59 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.694 HG22 ' CG ' ' A' ' 47' ' ' ARG . 52.4 mt -75.84 -60.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 47' ' ' ARG . 40.5 mt -38.28 -50.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 p -68.39 -36.34 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' ILE . . . 53.87 166.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.534 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.29 37.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 t -78.67 166.6 22.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -151.84 162.11 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.087 -0.84 . . . . 0.0 112.506 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -140.25 164.18 30.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -106.57 156.39 18.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -65.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -65.01 134.07 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -78.83 177.4 8.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.14 -166.42 32.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -120.16 143.25 35.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.661 0.743 . . . . 0.0 110.86 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ALA . 6.5 tpt -164.33 149.03 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' MET . . . -37.04 -51.65 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.07 156.24 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -109.25 95.82 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.14 71.04 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.66 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.009 HD12 ' HB3' ' A' ' 27' ' ' ASP . 79.5 mt -49.45 108.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -115.1 162.06 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.2 t -74.08 145.39 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 m -80.27 -29.1 38.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 76.1 mt -87.08 -41.17 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 m -90.45 -49.8 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 64.05 44.71 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -119.2 -74.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -167.32 138.79 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 18' ' ' CYS . 88.2 mt -134.43 10.65 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 43.14 25.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.009 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER 43.78 44.35 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 27' ' ' ASP . 11.6 p -166.32 142.14 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.5 m80 66.16 54.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -156.42 148.71 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 41' ' ' PHE . 37.5 t -81.72 122.42 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.5 tm0? -119.33 137.75 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -62.02 126.5 87.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.4 p -126.8 -43.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.2 t -99.58 121.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -43.11 2.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.9 p -60.36 -44.8 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 20.4 m170 -53.78 108.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.4 mtmm -135.0 100.02 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -111.54 130.31 55.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.2 p -85.05 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-85 -60.58 -53.91 59.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.52 -39.39 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -72.45 -38.81 68.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 59.5 mtp180 -53.86 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -42.19 -27.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.407 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 13.7 m -86.61 -32.45 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 87.2 mt -69.49 -29.15 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -84.52 -47.6 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.95 75.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 33.6 mt-30 -70.26 -64.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.43 101.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -60.28 -39.18 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -83.74 -41.96 17.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.33 -148.37 5.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.04 163.41 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG13 ' NE2' ' A' ' 53' ' ' GLN . 68.0 t -143.85 108.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -80.8 172.69 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.5 t -33.89 134.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 p -94.32 -28.18 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.07 31.07 7.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.1 -15.2 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 mtpm? 62.51 48.76 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.42 120.19 60.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.3 38.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.25 141.49 52.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.87 121.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.12 -40.59 2.83 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.7 m -86.58 165.57 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -111.64 40.51 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.1 t -137.29 138.85 26.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.6 0.714 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.82 130.92 20.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.2 p-90 -72.35 93.84 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -92.85 115.14 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 78.9 m-85 -33.3 138.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' GLN . 12.9 mtt -94.15 150.01 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.5 mm-40 -36.13 -38.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.88 -57.27 11.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 8.1 tt0 -62.3 -49.51 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 54.6 mt -40.5 -35.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.07 -41.84 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 m -51.14 -43.58 61.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.6 mt -76.49 -53.38 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.8 mt -45.87 -48.28 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -81.06 -67.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.68 70.15 1.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 83.24 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -107.98 104.45 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -46.24 -49.69 16.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.453 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 55.88 42.32 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -110.61 149.98 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.5 -85.68 1.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m 44.68 42.12 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -72.77 -61.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.42 178.48 8.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.9 p -124.06 75.77 58.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.19 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.291 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 ttt -169.35 173.88 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 38.98 41.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.6 112.02 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -162.72 143.44 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.31 142.63 14.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -174.12 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.358 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' HD3' ' A' ' 40' ' ' LYS . 3.4 mp -40.38 107.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.92 155.68 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.42 162.11 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.2 m -90.78 -43.15 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 80.2 mt -80.06 -41.36 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 37.9 m -86.15 -38.27 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.938 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 21' ' ' CYS . 3.6 p-80 43.31 44.64 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -126.21 -52.47 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -174.63 147.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD13 ' CD2' ' A' ' 30' ' ' PHE . 14.1 mt -123.93 132.23 53.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.54 -58.94 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.0 t70 -174.05 173.45 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 27' ' ' ASP . 43.2 p -33.29 -34.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' ASP . 52.1 m170 -34.1 -47.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' HD13 ' A' ' 25' ' ' LEU . 8.6 p90 -39.82 145.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' PHE . 45.7 t -73.62 118.88 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.5 tm0? -114.93 143.49 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -70.58 126.27 92.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.675 ' O ' HG21 ' A' ' 70' ' ' VAL . 54.0 Cg_endo -69.76 -23.93 30.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 70' ' ' VAL . 4.7 p -99.56 -30.24 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.58 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.0 t -113.15 117.21 46.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.673 0.749 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.42 4.26 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.4 p -62.78 -45.73 91.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.7 m170 -48.64 131.82 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HD3' HD23 ' A' ' 16' ' ' LEU . 7.4 mtmp? -152.82 105.53 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -120.34 126.1 49.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.1 p -80.51 -173.66 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -58.67 -53.74 63.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.74 20.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.21 -39.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -73.17 -39.91 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.0 mtp180 -54.28 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -41.89 -26.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 3.6 m -86.09 -33.87 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 55' ' ' ALA . 89.3 mt -65.48 -36.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -78.17 -44.46 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -50.87 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.2 mt-30 -73.66 -65.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.94 106.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -66.67 -42.22 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.6 m -70.56 -37.08 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.88 -147.21 21.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.6 154.39 21.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' NE2' ' A' ' 53' ' ' GLN . 94.7 t -134.27 105.91 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -74.06 164.81 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' TYR . 22.8 t -34.09 135.49 0.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.79 5.55 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 p -94.8 -28.94 15.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.46 32.01 8.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -117.22 -12.1 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 62.57 45.48 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.0 m -54.78 119.24 20.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.55 63.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.94 157.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG21 ' O ' ' A' ' 34' ' ' PRO . 90.1 t -77.11 70.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.99 -37.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.59 172.12 6.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -90.63 6.44 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -110.06 129.86 23.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 153.79 68.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -68.47 137.9 54.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -129.61 114.73 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -37.89 148.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.5 ptt? -119.87 156.72 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 79' ' ' MET . 22.0 mm100 -32.5 -45.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.87 -73.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -49.83 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 87' ' ' LEU . 74.2 mt -36.44 -36.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.46 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 84.8 m -54.51 -43.57 71.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 ' CG ' ' A' ' 47' ' ' ARG . 59.9 mt -73.25 -52.71 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 83' ' ' ILE . 37.2 mt -48.86 -53.46 19.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -60.34 -58.78 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.77 161.03 33.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.74 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.0 m -50.07 146.87 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -57.78 -59.99 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.195 -0.78 . . . . 0.0 112.462 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -77.94 157.48 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -87.96 -31.64 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -87.55 -44.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.5 m -80.69 -45.67 16.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.1 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.0 t -77.37 114.22 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 7.7 tm0? -110.17 130.61 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.7 t -55.59 125.55 60.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.08 7.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.0 p -127.87 -37.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 39' ' ' HIS . 68.7 t -102.11 117.05 62.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -33.37 16.76 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 p -70.89 -43.91 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.765 ' H ' HG12 ' A' ' 36' ' ' VAL . 22.0 m170 -53.43 112.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -134.98 96.25 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -112.33 123.84 51.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 3.8 p -80.51 -173.82 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.52 -54.39 55.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 19.66 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.28 -40.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.8 -45.15 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HG3' HG22 ' A' ' 86' ' ' ILE . 50.5 mtp180 -47.49 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -41.06 -31.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 38.7 m -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HG21 ' A' ' 59' ' ' VAL . 86.9 mt -63.38 -36.9 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -81.62 -44.76 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.09 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' HG13 ' A' ' 59' ' ' VAL . 30.4 mt-30 -72.74 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.37 95.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.12 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.048 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.28 -26.51 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.75 -151.97 24.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -82.12 154.5 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.3 t -136.36 106.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -80.36 174.66 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 6.1 t -36.39 134.55 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.79 3.38 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -95.96 -29.23 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.45 28.59 8.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -113.28 -15.73 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mtpm? 59.29 48.35 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.36 127.57 88.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.5 p-90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -125.02 113.24 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ALA . 81.3 m-85 -34.82 140.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -100.68 146.3 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 79' ' ' MET . 18.9 mm-40 -31.69 -42.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -53.56 -72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' THR . 13.6 tt0 -58.64 -48.53 80.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 75.5 mt -33.63 -35.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.96 -38.41 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . 54.0 m -55.46 -44.4 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' HG3' ' A' ' 47' ' ' ARG . 65.4 mt -77.25 -42.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.851 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.08 162.22 24.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 m -88.6 -33.4 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.21 -43.39 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -79.99 -47.98 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.7 p90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' PHE . 52.6 t -78.09 116.71 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.1 tm0? -112.09 124.41 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -54.04 125.34 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.37 13.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 p -121.2 -37.43 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 39' ' ' HIS . 45.5 t -106.47 120.97 46.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -40.55 5.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 p -63.15 -45.68 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -51.46 109.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.7 mtmt -134.97 86.43 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -100.54 126.68 47.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.1 p -82.68 -173.86 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-30 -58.23 -53.92 61.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.691 0.757 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.77 20.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.75 -29.81 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.53 -46.92 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.4 mtm105 -45.43 -63.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -42.89 -29.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -86.12 -29.67 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 83' ' ' ILE . 80.0 mt -71.19 -35.52 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -81.84 -40.05 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.55 -50.33 65.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' NE2' HG13 ' A' ' 59' ' ' VAL . 28.2 mt-30 -71.47 -65.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.85 101.06 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.35 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -78.61 -40.93 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.07 -147.98 4.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.68 153.17 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.462 HG13 ' NE2' ' A' ' 53' ' ' GLN . 73.7 t -133.7 107.19 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -78.92 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.523 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.77 134.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.75 4.77 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 52.4 p -98.32 -27.68 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.51 31.07 8.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.4 -16.01 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 60.24 49.65 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 m -62.83 127.68 90.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 158.65 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.2 p-90 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.767 0.318 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -138.18 110.54 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 83' ' ' ILE . 27.3 m-85 -33.75 137.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.1 ptm -106.27 162.37 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 70.9 mm-40 -33.83 -45.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.64 -75.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' ILE . 10.6 tt0 -54.88 -55.15 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.571 HG23 HG21 ' A' ' 50' ' ' ILE . 66.2 mt -35.34 -37.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -41.29 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m -52.03 -42.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 47' ' ' ARG . 81.1 mt -76.95 -56.92 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -48.69 155.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -88.4 -29.01 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 93.6 mt -89.26 -43.48 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 m -82.45 -49.47 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 40' ' ' LYS . 6.2 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.3 t -82.95 136.95 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 32.9 tp60 -132.1 138.2 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HG ' ' HZ2' ' A' ' 76' ' ' TRP . 1.8 t -70.78 128.72 90.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.4 Cg_endo -69.74 -24.43 29.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -97.09 -37.66 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 39' ' ' HIS . 66.3 t -107.53 115.37 59.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.79 23.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -72.0 -44.45 63.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.729 ' H ' HG12 ' A' ' 36' ' ' VAL . 9.5 m170 -49.2 113.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 33.2 mttt -134.95 95.59 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -110.93 125.82 54.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.3 p -83.85 -173.08 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.614 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -59.67 -54.03 59.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 19.92 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.88 -35.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -73.52 -45.93 50.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.1 mtp180 -48.05 -62.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.01 -31.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 69.0 m -83.3 -33.96 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.923 HG21 HG23 ' A' ' 83' ' ' ILE . 77.3 mt -67.9 -37.88 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -76.18 -42.27 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.04 75.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 25.2 mt-30 -72.48 -64.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.81 103.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.27 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.9 m -73.78 -40.69 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -144.47 7.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.06 162.53 14.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.732 HG21 HG23 ' A' ' 50' ' ' ILE . 68.8 t -137.38 113.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.3 m-85 -81.74 169.78 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.0 t -36.37 134.87 0.58 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.7 4.76 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -98.93 -29.24 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.34 7.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' LYS . 30.7 mm-40 -122.2 17.12 10.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLU . 49.6 mtpt 33.71 47.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.9 m -60.35 115.75 14.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.474 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 16.3 p-90 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -99.79 114.9 28.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' ALA . 58.3 m-85 -34.21 150.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.0 mtp -111.49 141.64 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' MET . 89.0 mm-40 -34.02 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.82 -54.44 33.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.19 -45.78 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 50' ' ' ILE . 49.6 mt -38.02 -36.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.11 -41.55 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.1 m -49.78 -43.97 48.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.581 HG22 ' HG3' ' A' ' 47' ' ' ARG . 33.6 mt -77.43 -45.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.892 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -50.58 147.34 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -76.46 -34.06 58.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.3 mt -81.57 -44.47 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 m -81.69 -45.78 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.6 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -67.99 108.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 16.4 tm0? -107.85 135.02 49.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.71 125.41 82.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -19.95 36.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -103.51 -33.89 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 39' ' ' HIS . 53.5 t -108.65 117.97 52.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -40.8 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -63.74 -45.39 90.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.687 ' H ' HG12 ' A' ' 36' ' ' VAL . 13.8 m170 -49.36 131.72 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -152.26 108.22 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -123.86 122.85 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.4 p -79.07 -173.94 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.49 -54.13 59.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 20.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.479 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.65 -32.34 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.51 -44.95 20.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' ILE . 96.5 mtt180 -48.27 -61.1 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -42.18 -31.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 37.9 m -84.24 -30.83 25.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -68.54 -37.09 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.54 -43.32 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.1 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 24.5 mt-30 -75.56 -64.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.02 103.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -64.43 -44.56 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 m -67.02 -39.55 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.86 -140.42 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.67 158.44 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -137.4 104.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -74.52 167.38 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 60' ' ' TYR . 18.6 t -34.22 134.92 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.7 4.75 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -92.15 -30.62 15.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.73 27.64 10.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -117.78 -10.86 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 60.52 52.9 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.8 m -58.1 117.99 23.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.75 0.31 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -115.0 115.33 26.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' ALA . 24.6 m-85 -34.6 142.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 80' ' ' GLN . 19.5 mmm -105.95 152.0 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' MET . 30.8 mm-40 -33.71 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.97 -68.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HG2' HD11 ' A' ' 86' ' ' ILE . 6.4 tt0 -58.92 -52.45 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.43 HG23 HG21 ' A' ' 50' ' ' ILE . 67.5 mt -37.37 -35.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 -40.27 11.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.5 m -53.85 -45.2 70.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 82' ' ' GLU . 47.8 mt -73.4 -58.08 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.868 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.4 t -52.95 160.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -89.13 -27.58 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.8 mt -92.74 -40.81 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -85.48 -34.66 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m170 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 11.0 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.8 t -78.79 115.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.3 tm0? -113.07 140.93 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.31 123.1 85.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -9.09 25.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 35.9 p -113.06 -36.6 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 39' ' ' HIS . 58.2 t -108.82 120.39 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.8 7.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -64.26 -45.93 85.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.638 ' H ' HG12 ' A' ' 36' ' ' VAL . 12.6 m170 -50.22 127.71 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -151.13 104.96 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.543 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -121.09 124.91 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.0 p -82.67 -173.69 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m-30 -57.93 -54.14 58.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.76 19.4 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.82 -32.34 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -76.14 -48.11 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' CG ' HG22 ' A' ' 86' ' ' ILE . 65.6 mtt180 -44.08 -65.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -38.03 -34.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.466 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.7 m -80.9 -38.0 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.593 HG22 ' HA ' ' A' ' 55' ' ' ALA . 69.9 mt -63.12 -35.67 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -80.63 -45.98 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.43 93.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.617 ' NE2' HG13 ' A' ' 59' ' ' VAL . 27.3 mt-30 -76.67 -62.35 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.74 100.31 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.593 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -55.03 -49.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -82.96 -30.89 27.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.47 -153.57 21.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -86.38 148.64 25.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 ' NE2' ' A' ' 53' ' ' GLN . 92.4 t -131.41 107.45 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.522 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.7 m-85 -80.86 170.36 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.489 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 1.8 t -34.56 135.5 0.39 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.81 2.21 3.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -92.95 -29.32 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.96 29.86 8.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -117.06 -19.51 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.1 mtpm? 63.52 50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -63.65 127.36 91.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 35' ' ' SER . 53.2 Cg_endo -69.8 147.72 63.24 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -119.3 111.82 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.465 ' O ' HD11 ' A' ' 83' ' ' ILE . 74.1 m-85 -34.19 136.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.0 ptt? -119.04 162.04 19.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 80' ' ' GLN . 2.2 mp0 -33.12 -44.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.81 -75.14 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 7.6 tt0 -65.54 -50.09 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 77.3 mt -34.4 -36.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -92.2 -39.0 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' GLU . 95.9 m -53.25 -42.69 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.516 HG22 ' CG ' ' A' ' 47' ' ' ARG . 58.9 mt -80.64 -58.19 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 83' ' ' ILE . 30.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.33 154.27 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -87.5 -35.66 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.78 -47.0 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -78.85 -47.37 16.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.878 0.37 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' PHE . 48.7 t -81.01 140.73 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 37.1 tp60 -133.94 135.41 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 2.2 t -64.84 127.44 92.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -11.85 31.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -111.83 -38.77 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.9 t -105.8 118.21 55.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -65.18 -46.33 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' H ' HG12 ' A' ' 36' ' ' VAL . 16.6 m170 -47.29 113.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -134.96 97.82 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -113.52 122.86 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 3.6 p -81.3 -173.95 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.52 -53.95 60.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.69 20.67 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.28 -38.81 2.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.52 -48.21 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ILE . 71.8 mtt180 -44.49 -62.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -42.01 -32.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 48.1 m -84.53 -29.65 25.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 55' ' ' ALA . 89.0 mt -69.49 -32.26 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -84.52 -42.01 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.45 69.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 30.4 mt-30 -73.39 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.52 98.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -57.02 -43.51 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.8 m -93.17 -41.04 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.76 -151.38 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.75 160.81 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.459 ' H ' ' HB1' ' A' ' 77' ' ' ALA . 95.7 t -143.43 105.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 2.4 m-85 -77.8 168.96 19.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 60' ' ' TYR . 11.4 t -33.27 134.84 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.592 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.75 4.82 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.419 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -97.37 -32.66 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.87 31.1 6.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 66' ' ' LYS . 26.8 mm-40 -121.03 19.9 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 52.8 mtpt 32.21 46.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.47 118.19 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.74 44.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 76' ' ' TRP . 6.0 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.8 p-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.41 116.09 26.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' O ' HD11 ' A' ' 83' ' ' ILE . 33.2 m-85 -36.72 136.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmm -106.11 157.72 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' MET . 14.4 mp0 -34.08 -39.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.89 -70.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -61.12 -47.16 87.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' HD12 ' A' ' 87' ' ' LEU . 77.6 mt -43.03 -35.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.09 -40.78 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.9 m -53.32 -43.23 67.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 25.9 mt -80.08 -58.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 83' ' ' ILE . 24.7 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' CYS . 26.8 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' CYS . 49.6 t -38.06 157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -85.88 -29.72 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.6 mt -93.8 -45.93 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 m -79.95 -37.65 34.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 3.4 p90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.923 0.392 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.5 t -74.69 114.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 3.0 tm0? -110.94 130.56 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -57.91 124.44 69.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.92 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 p -122.68 -41.11 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 39' ' ' HIS . 56.0 t -104.11 121.68 46.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -39.04 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -64.47 -45.15 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' H ' HG12 ' A' ' 36' ' ' VAL . 18.0 m170 -53.8 108.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 40.0 mtmt -134.99 96.91 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -109.78 130.45 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.7 p -84.64 -174.69 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.55 -53.88 60.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 21.3 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.379 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -36.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.74 -44.29 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.585 ' CG ' HG22 ' A' ' 86' ' ' ILE . 48.9 mtm180 -47.9 -63.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -40.44 -29.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -87.34 -34.85 18.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 86.5 mt -64.94 -34.1 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -83.37 -43.46 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.96 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.665 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.7 mt-30 -71.03 -61.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.45 98.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -53.15 -45.91 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -92.7 -33.95 14.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.87 -149.99 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.23 150.55 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' NE2' ' A' ' 53' ' ' GLN . 69.2 t -134.02 110.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.5 m-85 -81.44 172.26 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.17 134.69 0.37 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.81 4.05 2.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.2 p -97.4 -30.1 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.89 30.7 7.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -114.39 -17.04 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 61.65 46.59 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.26 126.89 85.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.26 38.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.0 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.86 117.74 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -39.63 136.35 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.4 ttm -100.03 146.15 27.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 79' ' ' MET . 6.2 mp0 -31.11 -41.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.79 -72.93 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.92 -45.32 94.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 69.8 mt -37.07 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.19 -40.61 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -52.76 -45.15 66.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.585 HG22 ' CG ' ' A' ' 47' ' ' ARG . 47.3 mt -79.21 -53.56 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 83' ' ' ILE . 13.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -63.58 155.68 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.1 m -85.41 -38.47 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.7 mt -79.51 -44.62 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -80.96 -52.55 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 9.7 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.3 t -82.32 113.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.8 tm0? -105.67 121.42 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.27 123.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.74 24.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -111.01 -34.71 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' H ' ' A' ' 39' ' ' HIS . 96.7 t -115.07 120.92 36.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.11 17.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 m -69.19 -44.7 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' H ' HG12 ' A' ' 36' ' ' VAL . 31.6 m170 -52.05 112.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 32.5 mttm -134.97 81.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.603 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -96.44 123.32 40.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.4 p -80.16 -174.97 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.4 -54.29 56.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.77 20.83 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.97 -30.01 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.59 -42.27 20.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.4 mtp180 -51.43 -61.72 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.01 -23.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 67.0 m -89.3 -35.24 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.655 HG22 ' HA ' ' A' ' 55' ' ' ALA . 85.4 mt -66.39 -32.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -83.36 -45.13 14.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.05 70.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.1 mt-30 -71.57 -57.45 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 93.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -54.49 -41.95 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.7 m -91.92 -38.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.04 -149.82 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.42 171.47 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG21 HG23 ' A' ' 50' ' ' ILE . 79.1 t -151.84 107.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.5 m-85 -79.65 172.51 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.7 t -35.71 134.03 0.52 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.603 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.9 p -97.28 -27.79 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 26.42 10.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -110.79 -20.35 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 mtpm? 65.39 43.93 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.9 m -54.61 117.8 14.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 142.81 48.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.67 122.19 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' O ' HD11 ' A' ' 83' ' ' ILE . 32.1 m-85 -45.72 134.58 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -110.69 163.72 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' MET . 16.4 mm-40 -33.66 -44.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.7 -78.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 5.5 tt0 -54.67 -52.57 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.474 HD11 ' O ' ' A' ' 78' ' ' PHE . 73.5 mt -37.04 -36.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.03 -43.12 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 m -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 79.7 mt -72.57 -59.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.46 157.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 m -88.51 -36.59 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.7 mt -84.65 -45.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -79.57 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 30.7 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.7 t -78.57 112.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 5.3 tm0? -107.74 126.22 52.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.6 t -58.52 126.3 78.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -11.7 31.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 p -112.95 -38.27 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.8 t -104.41 119.56 53.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.676 0.751 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.9 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -63.41 -44.99 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.7 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -49.32 110.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 24.8 mttt -135.0 87.7 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -104.09 123.24 46.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -84.11 179.72 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -51.2 -54.57 36.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.5 Cg_endo -69.74 21.41 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.54 -39.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.28 -43.22 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.2 mtp180 -46.75 -63.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -41.7 -29.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -86.16 -31.31 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HG23 ' A' ' 83' ' ' ILE . 84.7 mt -69.55 -30.97 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -86.32 -39.27 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.16 62.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 34.5 mt-30 -70.25 -62.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.86 99.28 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.01 80.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.4 m -83.4 -45.59 13.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.01 -150.19 6.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.67 160.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG13 ' NE2' ' A' ' 53' ' ' GLN . 70.1 t -142.22 116.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.3 m-85 -87.67 174.65 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.515 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.3 t -33.43 134.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 p -94.67 -30.37 14.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.72 30.24 7.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -114.03 -18.1 11.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 63.01 49.44 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.72 124.6 85.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.81 68.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 11.4 p-90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -98.36 112.44 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.658 ' O ' HD11 ' A' ' 83' ' ' ILE . 59.5 m-85 -33.55 114.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.3 tmm? -62.47 132.63 53.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 83' ' ' ILE . 42.8 mm-40 -33.06 -40.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.76 -61.59 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.69 -47.05 85.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.777 HG23 HG21 ' A' ' 50' ' ' ILE . 56.4 mt -36.05 -35.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -42.29 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -53.25 -44.05 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 47' ' ' ARG . 93.9 mt -71.95 -57.77 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.38 154.98 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.18 -38.53 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 80.3 mt -78.52 -46.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.0 m -78.57 -43.46 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 8.1 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.6 t -83.02 102.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.7 tm0? -100.14 130.89 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' HG ' ' HZ2' ' A' ' 76' ' ' TRP . 5.2 t -65.84 122.93 83.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.71 24.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -108.75 -40.04 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.46 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 t -112.1 121.46 39.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.53 22.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 m -70.99 -40.05 72.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.4 m170 -56.99 111.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 16.0 mtmt -135.0 87.28 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -102.09 128.49 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.0 p -85.55 -173.27 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -60.62 -53.72 61.71 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.76 20.7 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.42 -29.28 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.1 -49.87 11.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ILE . 61.6 mtt180 -43.13 -64.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -41.49 -33.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -82.88 -32.4 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 55' ' ' ALA . 83.2 mt -68.05 -34.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -80.44 -44.37 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.09 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.48 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.1 95.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.678 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -52.99 -45.2 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 p -90.45 -42.53 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.8 -149.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.04 149.53 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG21 HG23 ' A' ' 50' ' ' ILE . 92.3 t -132.4 104.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -78.32 178.26 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.1 t -40.99 134.32 1.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.0 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 p -98.4 -28.2 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 30.06 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.88 -17.53 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.4 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 24.9 mtmm 61.31 42.21 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.22 120.58 21.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.13 49.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -118.33 116.63 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 77' ' ' ALA . 56.3 m-85 -34.23 140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.4 mmm -109.15 155.25 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 8.8 mm-40 -34.96 -43.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.41 -70.29 1.02 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.26 -50.95 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.514 HG23 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -38.86 -36.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.75 -38.05 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.9 m -50.82 -41.77 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.458 HG22 ' CG ' ' A' ' 47' ' ' ARG . 36.0 mt -83.57 -60.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ILE . 38.5 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 t -49.28 150.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.6 m -81.29 -25.63 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -93.41 -41.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 m -85.25 -47.77 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' PHE . 53.9 t -81.14 118.81 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 8.1 tm0? -115.16 134.72 54.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.4 t -63.35 128.87 93.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.428 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.9 Cg_endo -69.72 -15.58 37.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.252 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -109.22 -41.03 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 39' ' ' HIS . 49.3 t -100.78 119.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m -63.26 -45.22 92.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.639 ' H ' HG12 ' A' ' 36' ' ' VAL . 20.9 m170 -49.29 108.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -134.66 91.37 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -105.26 126.19 51.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.2 p -81.84 -173.43 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.59 -54.11 59.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.81 19.99 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.57 -30.34 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.37 -46.98 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.6 mtm105 -45.45 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.07 -30.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.461 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.5 m -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.695 HG23 HG21 ' A' ' 59' ' ' VAL . 77.5 mt -62.9 -35.38 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.53 -46.57 17.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.61 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 31.0 mt-30 -71.73 -63.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.98 102.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -64.91 -43.5 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -85.91 -20.96 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.12 -150.37 22.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -82.84 151.33 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 HG23 ' A' ' 50' ' ' ILE . 93.6 t -128.84 104.1 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -76.36 169.85 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 11.1 t -36.93 134.94 0.64 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.72 5.5 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 p -100.21 -26.33 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.79 28.89 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.9 mm-40 -118.97 13.94 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 12.5 mtmt 33.99 50.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 m -62.93 117.26 30.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 163.61 37.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 27.8 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.718 0.295 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -107.07 112.5 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' O ' HD11 ' A' ' 83' ' ' ILE . 89.6 m-85 -33.58 138.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -103.4 161.23 14.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.9 mm-40 -35.02 -44.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.86 -70.64 0.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 tt0 -55.61 -56.47 19.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.586 HG23 HG21 ' A' ' 50' ' ' ILE . 71.5 mt -35.3 -35.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -91.9 -41.43 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.2 m -51.3 -42.91 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' CG ' ' A' ' 47' ' ' ARG . 38.0 mt -77.81 -53.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.835 0.35 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t -43.14 159.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -90.19 -29.71 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.5 mt -89.74 -42.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.5 -46.1 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 10.4 p90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 ' HZ ' ' A' ' 78' ' ' PHE . 55.6 t -77.51 113.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.6 tm0? -109.03 125.48 52.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -51.09 126.8 27.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.922 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' CG ' ' CD1' ' A' ' 76' ' ' TRP . 53.7 Cg_endo -69.78 2.38 3.6 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 p -133.43 -39.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 39' ' ' HIS . 59.2 t -99.91 119.45 59.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.01 2.34 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.1 p -61.07 -41.94 97.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . 24.6 m170 -56.5 109.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 15.8 mtmm -134.93 90.08 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -103.42 129.24 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -83.79 -176.58 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 m-30 -55.21 -54.47 50.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.82 20.08 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.01 -34.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -80.05 -41.2 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . 58.9 mtp180 -51.0 -61.87 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -40.72 -27.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -86.56 -34.67 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 83' ' ' ILE . 50.7 mt -64.12 -29.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -88.12 -42.27 12.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.59 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.712 ' NE2' HG13 ' A' ' 59' ' ' VAL . 41.5 mt-30 -66.88 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.73 84.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -50.17 -41.92 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -87.64 -36.11 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.96 -152.2 21.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.44 163.28 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.712 HG13 ' NE2' ' A' ' 53' ' ' GLN . 60.1 t -142.61 109.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.451 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.4 m-85 -84.84 -179.53 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.474 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 34.0 t -42.52 135.39 2.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.83 4.27 2.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -96.35 -29.97 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.73 25.35 9.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' LYS . 75.9 mm-40 -116.45 15.2 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mtmt 34.69 45.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 13.8 m -56.85 112.47 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.8 142.33 47.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 76' ' ' TRP . 5.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.536 ' CD1' ' CG ' ' A' ' 34' ' ' PRO . 5.5 p-90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -97.04 107.48 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HZ ' HG11 ' A' ' 31' ' ' VAL . 44.7 m-85 -33.55 120.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.7 mtt -79.14 146.18 33.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -34.53 -39.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.15 -56.08 22.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 10.1 tt0 -64.45 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -50.09 -34.57 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.51 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 m -56.21 -47.13 78.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.8 mt -71.21 -47.9 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.89 158.02 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -86.85 -38.88 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 63.1 mt -82.17 -46.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.17 -44.4 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 19.9 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.92 0.39 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.9 t -74.67 107.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 4.2 tm0? -102.18 127.44 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -56.41 125.88 67.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.69 2.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 p -132.61 -43.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.511 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 11.1 t -100.03 119.57 59.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -40.27 5.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -61.66 -43.3 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.0 m170 -56.09 109.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 4.3 mtmp? -135.01 88.47 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -102.99 125.25 49.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -79.68 -173.22 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -59.03 -53.88 62.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.76 21.07 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.51 -40.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -72.16 -47.7 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 86' ' ' ILE . 15.9 mtp-105 -45.29 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -41.67 -32.96 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.4 m -82.47 -34.74 27.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 59' ' ' VAL . 79.9 mt -62.44 -35.3 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -81.42 -45.53 15.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.23 78.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 27.6 mt-30 -71.4 -60.25 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.63 100.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.73 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.3 p -95.1 -36.18 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.16 -151.1 5.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.61 157.53 21.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 50' ' ' ILE . 98.4 t -136.53 109.92 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -85.55 174.59 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.0 t -35.19 134.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.8 3.79 2.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 24.6 p -97.78 -29.21 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 30.32 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -114.32 -17.03 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 61.98 48.16 5.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.4 m -60.72 123.91 76.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.45 45.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.732 2.288 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.9 p-90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.38 115.48 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 73.5 m-85 -38.99 158.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' GLN . 22.4 ptp -129.44 157.37 42.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.6 mp0 -32.87 -43.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -75.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -46.58 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 50' ' ' ILE . 69.1 mt -41.21 -37.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -41.11 11.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 96.1 m -53.01 -40.96 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.673 HG22 ' HG3' ' A' ' 47' ' ' ARG . 64.3 mt -76.28 -54.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -49.17 153.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.83 -36.08 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.8 mt -81.75 -46.42 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.5 m -79.41 -32.57 42.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.6 m170 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 32' ' ' GLN . 24.7 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' PHE . 58.0 t -85.62 116.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.2 tm0? -115.24 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.8 t -56.01 125.93 64.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.27 18.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 p -119.77 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 21.6 t -101.02 119.34 58.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.05 9.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -66.52 -45.08 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.3 m170 -52.29 111.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.86 95.35 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -110.33 123.48 49.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.4 p -81.93 -178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.18 -54.55 43.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.74 21.9 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.35 -34.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -75.42 -48.22 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 50' ' ' ILE . 49.4 mtm180 -42.01 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -40.32 -33.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 50.9 m -81.51 -34.95 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.694 HG21 HG23 ' A' ' 83' ' ' ILE . 79.1 mt -64.58 -34.17 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -83.19 -45.15 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 23.2 mt-30 -78.33 -59.89 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.07 101.52 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.43 97.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 t -94.62 -28.82 15.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.19 -151.5 22.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -80.49 165.2 22.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG21 HG23 ' A' ' 50' ' ' ILE . 90.9 t -145.03 105.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -79.65 171.47 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' TYR . 4.7 t -36.37 134.51 0.59 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.55 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 4.98 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.3 p -98.07 -28.58 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.98 30.21 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.27 -17.25 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 63.72 48.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.73 121.69 76.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.68 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -109.23 113.51 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' ALA . 88.0 m-85 -37.18 139.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 80' ' ' GLN . 11.5 ptp -105.36 149.13 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.8 tp-100 -32.07 -40.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -52.83 -73.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.5 tp10 -60.51 -49.51 77.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.694 HG23 HG21 ' A' ' 50' ' ' ILE . 63.8 mt -33.38 -37.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -89.43 -39.46 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' GLU . 53.0 m -53.42 -42.67 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.18 -55.42 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -42.35 154.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -84.26 -32.84 24.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 89.0 mt -87.41 -47.03 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.4 m -79.92 -46.9 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.3 t -85.41 148.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 46.2 tp60 -140.66 145.5 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -73.39 130.31 84.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.78 24.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -119.66 -40.9 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.7 t -101.28 115.15 65.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -42.79 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.1 p -59.8 -34.76 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.9 m170 -60.14 108.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -130.08 98.85 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 2.0 m-85 -113.01 118.75 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -78.36 -178.42 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.606 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.07 -54.52 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.669 0.747 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.77 21.87 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -39.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -73.56 -42.8 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 51.7 mtp180 -47.1 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -43.81 -30.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.491 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 59.8 m -82.71 -34.56 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.776 HG21 HG23 ' A' ' 83' ' ' ILE . 82.5 mt -65.29 -38.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -80.25 -43.91 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.9 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 28.2 mt-30 -71.87 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.96 94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.671 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.11 -45.68 79.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -82.62 -38.37 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.18 12.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.59 170.9 15.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 50' ' ' ILE . 95.1 t -151.19 105.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -78.35 173.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 10.0 t -35.74 134.58 0.52 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.593 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.2 Cg_endo -69.81 3.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 p -94.2 -29.27 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.23 29.84 8.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -116.43 -13.6 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 60.96 46.9 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.3 m -58.56 121.14 50.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.95 69.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 14.8 p-90 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.22 130.57 52.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -49.7 145.59 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.4 ttm -102.0 145.9 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 79' ' ' MET . 23.5 mp0 -33.6 -45.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.05 -69.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ILE . 9.8 tt0 -55.56 -51.8 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 HG21 ' A' ' 50' ' ' ILE . 69.3 mt -35.44 -37.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -41.69 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.3 m -51.84 -42.18 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 47' ' ' ARG . 47.1 mt -76.68 -47.29 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.6 t -54.17 155.62 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -86.13 -36.51 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 mt -81.38 -45.07 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.57 -45.89 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 6.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -85.12 114.66 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 tm0? -110.76 124.73 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -55.03 128.11 64.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.23 35.91 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 p -110.89 -38.46 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.4 t -103.62 120.03 52.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -43.4 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.609 ' H ' HG12 ' A' ' 36' ' ' VAL . 14.7 m170 -48.17 109.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mtmp? -134.99 83.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -98.25 124.19 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.7 p -81.97 178.8 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -51.89 -54.6 38.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.78 21.55 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.4 m -131.93 -36.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.58 -42.48 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ILE . 57.8 mtp180 -50.74 -62.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -38.39 -29.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ARG . 5.5 m -87.04 -37.61 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 83' ' ' ILE . 85.6 mt -63.39 -31.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -83.97 -45.14 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.1 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.9 mt-30 -69.46 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.81 92.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -51.47 -42.37 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.0 m -91.75 -40.12 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.22 -150.44 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.29 159.11 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.603 HG21 HG23 ' A' ' 50' ' ' ILE . 76.9 t -141.66 108.48 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.36 168.86 18.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.6 t -34.17 134.6 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.594 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.79 4.56 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 25.1 p -98.06 -29.03 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.22 7.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.65 -16.85 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 63.45 48.46 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 m -63.52 121.24 69.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.01 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.62 115.3 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' O ' HD11 ' A' ' 83' ' ' ILE . 67.1 m-85 -44.99 143.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -119.5 159.39 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' MET . 77.6 mm-40 -31.21 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.69 -80.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' THR . 5.1 tt0 -62.08 -52.12 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 50' ' ' ILE . 66.3 mt -32.16 -36.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.07 -41.12 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' GLU . 49.6 m -55.57 -42.9 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.479 HG22 ' CG ' ' A' ' 47' ' ' ARG . 82.2 mt -76.32 -52.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.49 157.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -91.46 -25.95 19.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.412 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.2 mt -94.72 -42.04 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 m -88.13 -36.75 16.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 p90 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' PHE . 60.6 t -84.59 144.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 38.8 tp60 -137.65 135.47 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 4.8 t -67.72 129.86 93.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.24 29.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.2 p -96.4 -36.69 10.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.8 t -108.13 116.77 56.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -34.85 13.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.8 p -67.41 -46.13 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.64 ' H ' HG12 ' A' ' 36' ' ' VAL . 10.5 m170 -45.79 111.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -132.61 93.98 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -110.28 125.8 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -84.92 -175.69 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -55.62 -54.19 54.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.8 20.96 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.481 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.22 -44.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.47 -44.99 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.0 mtp180 -46.76 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -41.14 -32.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.457 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.9 m -80.77 -35.44 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.686 ' HA ' HG21 ' A' ' 59' ' ' VAL . 75.7 mt -60.96 -35.66 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -82.86 -42.78 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.94 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.729 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.8 mt-30 -73.26 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.64 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.7 -40.13 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -88.48 -39.73 13.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.1 -151.6 8.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -87.29 155.4 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.729 HG13 ' NE2' ' A' ' 53' ' ' GLN . 86.2 t -135.02 113.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 66' ' ' LYS . 2.3 m-85 -81.2 174.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.8 t -38.02 135.15 0.84 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.77 4.38 2.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 p -95.62 -32.45 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.95 6.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 66' ' ' LYS . 79.6 mm-40 -121.74 19.9 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 43.3 mtpt 32.09 48.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.07 114.7 12.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 161.57 45.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.0 p-90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.1 119.02 33.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 86' ' ' ILE . 38.0 m-85 -38.87 148.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmt -124.43 161.67 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.515 ' NE2' ' H ' ' A' ' 80' ' ' GLN . 1.7 mp0 -32.52 -41.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.7 -70.05 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 tp10 -60.78 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 63.1 mt -37.62 -37.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.74 -41.49 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.5 m -53.97 -45.72 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.568 HG22 ' HG3' ' A' ' 47' ' ' ARG . 28.4 mt -76.23 -45.48 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 83' ' ' ILE . 19.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.39 159.15 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 m -88.64 -36.85 16.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 70.2 mt -84.37 -44.93 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 38.4 m -81.38 -23.41 37.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 34.8 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.2 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' PHE . 42.4 t -82.16 113.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.3 tm0? -109.7 123.36 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -49.79 127.44 19.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.81 4.08 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -133.35 -40.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.717 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.4 t -99.04 118.71 62.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.77 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 p -60.99 -39.18 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.717 ' H ' HG12 ' A' ' 36' ' ' VAL . 19.8 m170 -58.99 107.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.6 mtmt -133.04 86.55 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -99.15 128.81 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.5 p -85.21 -176.45 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -56.52 -54.18 56.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.81 20.46 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.39 -38.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -74.07 -45.51 48.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' CG ' HG22 ' A' ' 86' ' ' ILE . 13.0 mtp-105 -48.28 -58.52 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.26 -33.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 m -82.96 -29.98 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 83' ' ' ILE . 89.9 mt -68.07 -36.91 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -80.66 -42.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.35 76.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.2 mt-30 -73.64 -60.77 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.14 105.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.42 93.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -79.43 -35.71 40.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.98 -149.15 19.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.14 152.14 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' NE2' ' A' ' 53' ' ' GLN . 82.2 t -131.15 109.9 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.61 173.48 12.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 t -37.65 134.65 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.596 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.79 4.88 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -98.92 -27.99 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.27 7.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -115.65 -16.57 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 63.27 50.32 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.05 119.54 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.27 24.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.712 0.291 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.27 124.95 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -45.52 133.33 7.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -97.0 146.1 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' N ' ' HG3' ' A' ' 79' ' ' MET . 2.1 mp0 -32.18 -44.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.44 -63.54 5.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.95 -48.06 75.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.847 HG23 HG21 ' A' ' 50' ' ' ILE . 80.3 mt -38.2 -36.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.37 -42.18 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 m -49.47 -42.59 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.694 HG22 ' CG ' ' A' ' 47' ' ' ARG . 52.4 mt -75.84 -60.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 47' ' ' ARG . 40.5 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 t -74.08 145.39 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 m -80.27 -29.1 38.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 76.1 mt -87.08 -41.17 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 m -90.45 -49.8 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.959 0.409 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 41' ' ' PHE . 37.5 t -81.72 122.42 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.5 tm0? -119.33 137.75 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -62.02 126.5 87.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.4 p -126.8 -43.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.2 t -99.58 121.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -43.11 2.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.9 p -60.36 -44.8 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 20.4 m170 -53.78 108.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.4 mtmm -135.0 100.02 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -111.54 130.31 55.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.2 p -85.05 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-85 -60.58 -53.91 59.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.52 -39.39 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -72.45 -38.81 68.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 59.5 mtp180 -53.86 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -42.19 -27.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.407 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 13.7 m -86.61 -32.45 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 87.2 mt -69.49 -29.15 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -84.52 -47.6 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.95 75.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 33.6 mt-30 -70.26 -64.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.43 101.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -60.28 -39.18 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -83.74 -41.96 17.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.33 -148.37 5.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.04 163.41 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG13 ' NE2' ' A' ' 53' ' ' GLN . 68.0 t -143.85 108.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -80.8 172.69 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.5 t -33.89 134.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 p -94.32 -28.18 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.07 31.07 7.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.1 -15.2 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 mtpm? 62.51 48.76 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.42 120.19 60.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.3 38.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.2 p-90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.755 0.312 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -92.85 115.14 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 78.9 m-85 -33.3 138.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' GLN . 12.9 mtt -94.15 150.01 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.5 mm-40 -36.13 -38.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.88 -57.27 11.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 8.1 tt0 -62.3 -49.51 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 54.6 mt -40.5 -35.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.07 -41.84 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 m -51.14 -43.58 61.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.6 mt -76.49 -53.38 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.42 162.11 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.2 m -90.78 -43.15 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 80.2 mt -80.06 -41.36 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 37.9 m -86.15 -38.27 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.938 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 21' ' ' CYS . 3.6 p-80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 8.6 p90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.88 0.371 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' PHE . 45.7 t -73.62 118.88 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.5 tm0? -114.93 143.49 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -70.58 126.27 92.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -23.93 30.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 p -99.56 -30.24 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.58 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.0 t -113.15 117.21 46.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.673 0.749 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.42 4.26 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.4 p -62.78 -45.73 91.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.7 m170 -48.64 131.82 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 7.4 mtmp? -152.82 105.53 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -120.34 126.1 49.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.1 p -80.51 -173.66 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -58.67 -53.74 63.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.74 20.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.21 -39.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -73.17 -39.91 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.0 mtp180 -54.28 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -41.89 -26.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 3.6 m -86.09 -33.87 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 55' ' ' ALA . 89.3 mt -65.48 -36.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -78.17 -44.46 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -50.87 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.2 mt-30 -73.66 -65.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.94 106.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -66.67 -42.22 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.6 m -70.56 -37.08 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.88 -147.21 21.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.6 154.39 21.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' NE2' ' A' ' 53' ' ' GLN . 94.7 t -134.27 105.91 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.4 m-85 -74.06 164.81 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' TYR . 22.8 t -34.09 135.49 0.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.79 5.55 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 p -94.8 -28.94 15.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.46 32.01 8.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -117.22 -12.1 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 62.57 45.48 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.0 m -54.78 119.24 20.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.55 63.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.735 0.302 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -129.61 114.73 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -37.89 148.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.5 ptt? -119.87 156.72 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 79' ' ' MET . 22.0 mm100 -32.5 -45.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.87 -73.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -49.83 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 87' ' ' LEU . 74.2 mt -36.44 -36.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.46 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 84.8 m -54.51 -43.57 71.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 ' CG ' ' A' ' 47' ' ' ARG . 59.9 mt -73.25 -52.71 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 83' ' ' ILE . 37.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -80.49 101.09 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -131.79 125.2 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.66 165.99 10.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -55.82 -45.43 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -76.27 108.7 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.48 -168.44 14.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -69.55 129.36 91.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.5 mtt -133.59 165.66 24.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.37 174.44 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.47 86.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -142.77 144.19 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.32 139.42 6.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -47.63 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 16' ' ' LEU . 1.3 pt? -93.8 150.97 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.8 m -145.37 175.59 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -77.94 157.48 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -87.96 -31.64 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -87.55 -44.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.5 m -80.69 -45.67 16.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 63.26 39.08 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -125.52 -64.34 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.63 163.06 3.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 30' ' ' PHE . 42.8 mt -122.94 122.4 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -42.69 -46.93 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 29' ' ' HIS . 2.6 t70 -174.9 163.52 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.558 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 8.8 t -34.65 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 27' ' ' ASP . 12.1 m-70 -33.61 -37.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.622 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.1 p90 -45.06 147.19 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.0 t -77.37 114.22 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 7.7 tm0? -110.17 130.61 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.7 t -55.59 125.55 60.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.732 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.08 7.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.0 p -127.87 -37.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.765 HG12 ' H ' ' A' ' 39' ' ' HIS . 68.7 t -102.11 117.05 62.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -33.37 16.76 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 p -70.89 -43.91 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.765 ' H ' HG12 ' A' ' 36' ' ' VAL . 22.0 m170 -53.43 112.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -134.98 96.25 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -112.33 123.84 51.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.8 p -80.51 -173.82 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.52 -54.39 55.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 19.66 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.28 -40.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.8 -45.15 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HG3' HG22 ' A' ' 86' ' ' ILE . 50.5 mtp180 -47.49 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -41.06 -31.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 38.7 m -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HG21 ' A' ' 59' ' ' VAL . 86.9 mt -63.38 -36.9 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -81.62 -44.76 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.09 78.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' NE2' HG13 ' A' ' 59' ' ' VAL . 30.4 mt-30 -72.74 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.37 95.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.12 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.048 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.28 -26.51 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.75 -151.97 24.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -82.12 154.5 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG13 ' NE2' ' A' ' 53' ' ' GLN . 95.3 t -136.36 106.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 m-85 -80.36 174.66 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 6.1 t -36.39 134.55 0.59 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.79 3.38 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -95.96 -29.23 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.45 28.59 8.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -113.28 -15.73 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mtpm? 59.29 48.35 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -61.36 127.57 88.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.67 139.28 56.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -49.8 121.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.53 2.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 m -82.91 151.81 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -98.43 39.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.636 HG13 ' HD2' ' A' ' 75' ' ' PRO . 92.1 t -138.65 138.29 21.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HD2' HG13 ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.75 140.74 43.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.5 p-90 -82.12 127.84 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -125.02 113.24 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ALA . 81.3 m-85 -34.82 140.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -100.68 146.3 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 79' ' ' MET . 18.9 mm-40 -31.69 -42.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -53.56 -72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' THR . 13.6 tt0 -58.64 -48.53 80.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 75.5 mt -33.63 -35.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.96 -38.41 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . 54.0 m -55.46 -44.4 76.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' HG3' ' A' ' 47' ' ' ARG . 65.4 mt -77.25 -42.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.91 -55.17 33.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 61.57 35.74 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.92 93.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -34.43 14.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -76.36 133.03 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.9 m -98.95 41.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.525 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -66.1 155.53 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -171.51 142.51 1.65 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.32 -151.17 23.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -91.2 157.05 17.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 p -108.21 -46.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.69 -162.49 12.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.6 m -153.64 155.45 31.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.05 54.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 47.9 tpp -82.66 86.61 6.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.02 106.5 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.09 -49.61 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.2 t -73.2 159.28 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.67 161.05 28.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -50.42 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 mt -147.07 169.09 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -164.3 164.6 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -80.08 162.22 24.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 m -88.6 -33.4 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.21 -43.39 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -79.99 -47.98 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 64.16 39.41 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -125.79 -75.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -150.35 161.73 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD22 ' CB ' ' A' ' 30' ' ' PHE . 15.7 mt -129.83 112.2 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' LEU . 4.3 pt-20 -34.44 -59.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -175.08 175.22 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -37.6 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' ASP . 13.8 m80 -39.37 -39.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.7 p90 -48.48 150.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' PHE . 52.6 t -78.09 116.71 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.1 tm0? -112.09 124.41 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -54.04 125.34 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.37 13.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 p -121.2 -37.43 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 39' ' ' HIS . 45.5 t -106.47 120.97 46.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -40.55 5.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 p -63.15 -45.68 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -51.46 109.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.7 mtmt -134.97 86.43 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -100.54 126.68 47.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.1 p -82.68 -173.86 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-30 -58.23 -53.92 61.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.691 0.757 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.77 20.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.75 -29.81 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.53 -46.92 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.4 mtm105 -45.43 -63.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -42.89 -29.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -86.12 -29.67 23.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 83' ' ' ILE . 80.0 mt -71.19 -35.52 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -81.84 -40.05 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.55 -50.33 65.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' NE2' HG13 ' A' ' 59' ' ' VAL . 28.2 mt-30 -71.47 -65.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.85 101.06 0.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.35 89.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -78.61 -40.93 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.07 -147.98 4.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.68 153.17 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.462 HG13 ' NE2' ' A' ' 53' ' ' GLN . 73.7 t -133.7 107.19 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -78.92 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.523 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.77 134.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.75 4.77 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 52.4 p -98.32 -27.68 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.51 31.07 8.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.4 -16.01 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 60.24 49.65 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 m -62.83 127.68 90.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 158.65 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.69 139.13 51.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.7 p -49.1 118.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.79 3.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.6 m -82.06 145.46 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -91.42 34.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG13 ' HD2' ' A' ' 75' ' ' PRO . 84.5 t -135.99 136.24 22.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.679 0.752 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.562 ' HD2' HG13 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.74 136.71 33.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.2 p-90 -73.37 143.42 46.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -138.18 110.54 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 83' ' ' ILE . 27.3 m-85 -33.75 137.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.1 ptm -106.27 162.37 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 70.9 mm-40 -33.83 -45.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.64 -75.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' ILE . 10.6 tt0 -54.88 -55.15 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.571 HG23 HG21 ' A' ' 50' ' ' ILE . 66.2 mt -35.34 -37.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -41.29 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m -52.03 -42.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 47' ' ' ARG . 81.1 mt -76.95 -56.92 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.9 mt -40.59 -53.13 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -86.58 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.23 92.54 2.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.4 45.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.9 m -102.16 156.18 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.4 t -52.89 146.36 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.47 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -137.65 140.15 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m 45.49 43.43 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.29 -98.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -145.23 140.0 27.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -114.0 94.56 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -105.44 -49.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 38.5 p -37.62 145.79 0.28 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.78 55.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -76.14 -44.53 37.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.22 141.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.53 95.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -164.04 172.2 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.77 92.5 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.1 5.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -44.57 108.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.2 p -128.93 126.0 38.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.8 t -48.69 155.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -88.4 -29.01 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 93.6 mt -89.26 -43.48 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 m -82.45 -49.47 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 66.24 43.61 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.16 -61.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.94 159.36 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD22 ' CB ' ' A' ' 30' ' ' PHE . 38.2 mt -123.38 116.24 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.3 mt-10 -36.31 -64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.1 t70 -169.95 173.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 27' ' ' ASP . 63.9 p -29.41 -38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 27' ' ' ASP . 32.7 m170 -31.09 -44.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.2 p90 -48.55 151.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.3 t -82.95 136.95 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 32.9 tp60 -132.1 138.2 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.78 128.72 90.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.4 Cg_endo -69.74 -24.43 29.77 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -97.09 -37.66 10.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 39' ' ' HIS . 66.3 t -107.53 115.37 59.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.79 23.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -72.0 -44.45 63.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.729 ' H ' HG12 ' A' ' 36' ' ' VAL . 9.5 m170 -49.2 113.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 33.2 mttt -134.95 95.59 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -110.93 125.82 54.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.3 p -83.85 -173.08 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.614 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -59.67 -54.03 59.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 19.92 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.88 -35.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -73.52 -45.93 50.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.1 mtp180 -48.05 -62.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.01 -31.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 69.0 m -83.3 -33.96 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.923 HG21 HG23 ' A' ' 83' ' ' ILE . 77.3 mt -67.9 -37.88 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -76.18 -42.27 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.04 75.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 25.2 mt-30 -72.48 -64.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.81 103.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.27 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.9 m -73.78 -40.69 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -144.47 7.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.06 162.53 14.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.732 HG21 HG23 ' A' ' 50' ' ' ILE . 68.8 t -137.38 113.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.3 m-85 -81.74 169.78 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.0 t -36.37 134.87 0.58 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.7 4.76 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -98.93 -29.24 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.34 7.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' LYS . 30.7 mm-40 -122.2 17.12 10.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLU . 49.6 mtpt 33.71 47.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.9 m -60.35 115.75 14.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 72' ' ' SER . 6.4 mt -57.51 158.64 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.63 -30.26 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -118.1 -4.07 14.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 31.7 m -129.26 149.18 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.831 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.04 32.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG13 ' HD2' ' A' ' 75' ' ' PRO . 86.3 t -129.54 136.86 29.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.74 109.2 2.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.474 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 16.3 p-90 -42.26 104.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -99.79 114.9 28.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' ALA . 58.3 m-85 -34.21 150.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.0 mtp -111.49 141.64 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' MET . 89.0 mm-40 -34.02 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.82 -54.44 33.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.19 -45.78 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 50' ' ' ILE . 49.6 mt -38.02 -36.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.11 -41.55 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.1 m -49.78 -43.97 48.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.581 HG22 ' HG3' ' A' ' 47' ' ' ARG . 33.6 mt -77.43 -45.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.51 -43.36 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -70.24 -47.12 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.52 -161.93 41.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.24 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.5 p -68.17 167.57 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.5 m -105.09 108.55 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -51.21 130.99 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 m -143.26 132.98 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.09 97.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -119.88 126.57 51.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -86.88 -58.7 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.39 -173.84 55.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 p -132.46 84.36 51.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.74 7.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.38 35.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 86.42 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -139.25 149.3 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 m -57.76 -51.57 69.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.25 -177.11 45.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -27.33 26.36 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD13 HD12 ' A' ' 25' ' ' LEU . 3.9 pp -158.68 168.15 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 p -174.8 144.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -50.58 147.34 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -76.46 -34.06 58.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.3 mt -81.57 -44.47 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 m -81.69 -45.78 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 63.68 40.46 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.73 -74.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -149.43 -179.27 6.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD13 ' CD2' ' A' ' 30' ' ' PHE . 19.2 mt -146.24 112.39 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' LEU . 11.3 pt-20 -34.47 -51.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' HIS . 7.2 t0 -175.02 160.21 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.586 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.6 t -34.62 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.4 m-70 -37.19 -39.08 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CD2' HD13 ' A' ' 25' ' ' LEU . 21.6 p90 -41.06 142.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -67.99 108.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 16.4 tm0? -107.85 135.02 49.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.71 125.41 82.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 70' ' ' VAL . 54.5 Cg_endo -69.65 -19.95 36.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -103.51 -33.89 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 39' ' ' HIS . 53.5 t -108.65 117.97 52.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -40.8 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -63.74 -45.39 90.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.687 ' H ' HG12 ' A' ' 36' ' ' VAL . 13.8 m170 -49.36 131.72 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -152.26 108.22 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -123.86 122.85 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.4 p -79.07 -173.94 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.49 -54.13 59.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.81 20.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.479 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.65 -32.34 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.51 -44.95 20.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' ILE . 96.5 mtt180 -48.27 -61.1 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -42.18 -31.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 37.9 m -84.24 -30.83 25.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ARG . 79.1 mt -68.54 -37.09 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.54 -43.32 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.1 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 24.5 mt-30 -75.56 -64.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.02 103.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -64.43 -44.56 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 m -67.02 -39.55 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.86 -140.42 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.67 158.44 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -137.4 104.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -74.52 167.38 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 60' ' ' TYR . 18.6 t -34.22 134.92 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.7 4.75 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -92.15 -30.62 15.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.73 27.64 10.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -117.78 -10.86 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 60.52 52.9 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.8 m -58.1 117.99 23.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.713 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 53.2 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 7.5 mt -36.06 154.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 34' ' ' PRO . 62.1 t -32.43 -66.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.24 47.13 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -141.75 157.28 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.443 ' ND2' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -82.15 15.11 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' ' CG ' ' A' ' 69' ' ' LEU . 87.5 t -126.6 125.57 24.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.8 167.95 23.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -90.86 123.16 34.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -115.0 115.33 26.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' ALA . 24.6 m-85 -34.6 142.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 80' ' ' GLN . 19.5 mmm -105.95 152.0 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 79' ' ' MET . 30.8 mm-40 -33.71 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.97 -68.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HG2' HD11 ' A' ' 86' ' ' ILE . 6.4 tt0 -58.92 -52.45 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.43 HG23 HG21 ' A' ' 50' ' ' ILE . 67.5 mt -37.37 -35.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 -40.27 11.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.5 m -53.85 -45.2 70.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 82' ' ' GLU . 47.8 mt -73.4 -58.08 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.7 mt -44.67 -49.58 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 m -68.42 -54.61 15.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.13 -156.61 53.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 8.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.1 p -75.93 147.58 38.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.9 m -123.6 148.89 45.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.452 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -150.09 138.92 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -133.12 102.94 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.07 -153.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -98.43 82.41 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m -81.22 114.19 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.98 113.96 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 p -49.51 142.17 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.92 11.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.5 mtt -139.85 108.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.05 145.12 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -97.52 -59.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -165.45 160.76 18.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 15' ' ' PRO . . . -146.4 101.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 14' ' ' GLY . 54.1 Cg_endo -69.72 -24.01 30.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.627 HD11 ' CE2' ' A' ' 30' ' ' PHE . 1.2 pt? -117.0 154.61 30.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.4 p -143.0 143.63 31.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.4 t -52.95 160.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -89.13 -27.58 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.8 mt -92.74 -40.81 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 m -85.48 -34.66 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m170 62.67 41.67 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.96 178.73 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 139.74 39.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 30' ' ' PHE . 12.5 mt -104.36 136.46 43.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -45.21 -61.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' HIS . 6.5 m-20 -173.24 169.31 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 27' ' ' ASP . 12.3 t -32.94 -34.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' ASP . 87.1 m-70 -32.85 -46.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CE2' HD11 ' A' ' 16' ' ' LEU . 11.0 p90 -41.85 148.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 47.8 t -78.79 115.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.3 tm0? -113.07 140.93 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.31 123.1 85.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -9.09 25.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 35.9 p -113.06 -36.6 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 39' ' ' HIS . 58.2 t -108.82 120.39 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.8 7.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -64.26 -45.93 85.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.638 ' H ' HG12 ' A' ' 36' ' ' VAL . 12.6 m170 -50.22 127.71 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -151.13 104.96 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.543 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -121.09 124.91 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.0 p -82.67 -173.69 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.3 m-30 -57.93 -54.14 58.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.76 19.4 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.82 -32.34 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -76.14 -48.11 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' CG ' HG22 ' A' ' 86' ' ' ILE . 65.6 mtt180 -44.08 -65.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -38.03 -34.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.466 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.7 m -80.9 -38.0 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.593 HG22 ' HA ' ' A' ' 55' ' ' ALA . 69.9 mt -63.12 -35.67 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -80.63 -45.98 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.43 93.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.617 ' NE2' HG13 ' A' ' 59' ' ' VAL . 27.3 mt-30 -76.67 -62.35 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.74 100.31 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.593 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -55.03 -49.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -82.96 -30.89 27.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.47 -153.57 21.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -86.38 148.64 25.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 ' NE2' ' A' ' 53' ' ' GLN . 92.4 t -131.41 107.45 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.522 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.7 m-85 -80.86 170.36 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.489 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 1.8 t -34.56 135.5 0.39 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.81 2.21 3.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -92.95 -29.32 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.96 29.86 8.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -117.06 -19.51 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.1 mtpm? 63.52 50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -63.65 127.36 91.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 35' ' ' SER . 53.2 Cg_endo -69.8 147.72 63.24 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 72' ' ' SER . 3.5 mt -37.7 157.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -38.58 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -152.97 -30.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.564 ' HB2' HD13 ' A' ' 69' ' ' LEU . 17.8 m -65.0 138.91 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.49 47.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 ' O ' HD12 ' A' ' 69' ' ' LEU . 85.9 t -149.95 125.29 4.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 109.34 2.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 -46.02 123.75 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -119.3 111.82 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.465 ' O ' HD11 ' A' ' 83' ' ' ILE . 74.1 m-85 -34.19 136.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 80' ' ' GLN . 18.0 ptt? -119.04 162.04 19.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 80' ' ' GLN . 2.2 mp0 -33.12 -44.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.81 -75.14 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 7.6 tt0 -65.54 -50.09 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 77.3 mt -34.4 -36.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -92.2 -39.0 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' GLU . 95.9 m -53.25 -42.69 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.516 HG22 ' CG ' ' A' ' 47' ' ' ARG . 58.9 mt -80.64 -58.19 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 83' ' ' ILE . 30.6 mt -41.65 -51.19 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 38.26 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.78 178.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.75 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' PRO . 57.7 p 34.35 42.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.8 p -119.05 41.96 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.499 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -95.92 -49.61 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -91.39 103.79 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.99 157.82 31.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -85.08 -61.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -84.47 123.27 30.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.17 -100.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -127.99 77.57 76.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.99 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 ptm -74.02 129.22 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.13 161.09 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -43.45 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 t 64.2 45.41 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.94 -74.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -33.2 17.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' H ' HD23 ' A' ' 16' ' ' LEU . 1.6 pt? -102.83 138.91 39.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m -140.59 158.36 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.33 154.27 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -87.5 -35.66 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.78 -47.0 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -78.85 -47.37 16.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 61.8 41.89 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -127.71 -57.58 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.46 168.38 3.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 30' ' ' PHE . 45.6 mt -132.07 117.58 18.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -40.24 -61.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.1 m-20 -169.67 169.67 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 27' ' ' ASP . 74.6 p -30.18 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 27' ' ' ASP . 86.4 m-70 -30.57 -40.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' CB ' HD22 ' A' ' 25' ' ' LEU . 14.6 p90 -48.54 149.37 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' PHE . 48.7 t -81.01 140.73 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 37.1 tp60 -133.94 135.41 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 2.2 t -64.84 127.44 92.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -11.85 31.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -111.83 -38.77 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.9 t -105.8 118.21 55.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -65.18 -46.33 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' H ' HG12 ' A' ' 36' ' ' VAL . 16.6 m170 -47.29 113.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -134.96 97.82 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -113.52 122.86 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 3.6 p -81.3 -173.95 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.52 -53.95 60.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.83 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.69 20.67 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -126.28 -38.81 2.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.52 -48.21 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ILE . 71.8 mtt180 -44.49 -62.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -42.01 -32.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 48.1 m -84.53 -29.65 25.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 55' ' ' ALA . 89.0 mt -69.49 -32.26 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -84.52 -42.01 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.45 69.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 30.4 mt-30 -73.39 -64.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.52 98.77 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -57.02 -43.51 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.8 m -93.17 -41.04 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.76 -151.38 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.75 160.81 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.459 ' H ' ' HB1' ' A' ' 77' ' ' ALA . 95.7 t -143.43 105.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 2.4 m-85 -77.8 168.96 19.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 60' ' ' TYR . 11.4 t -33.27 134.84 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.592 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.75 4.82 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.419 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -97.37 -32.66 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.87 31.1 6.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 66' ' ' LYS . 26.8 mm-40 -121.03 19.9 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 52.8 mtpt 32.21 46.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.47 118.19 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.74 44.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 76' ' ' TRP . 6.0 mt -69.26 140.6 54.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.9 p -46.89 118.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 -43.57 2.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.436 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -87.5 37.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.04 131.27 18.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.73 131.72 21.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.404 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.8 p-90 -70.96 123.55 22.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.41 116.09 26.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' O ' HD11 ' A' ' 83' ' ' ILE . 33.2 m-85 -36.72 136.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmm -106.11 157.72 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' MET . 14.4 mp0 -34.08 -39.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.89 -70.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -61.12 -47.16 87.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' HD12 ' A' ' 87' ' ' LEU . 77.6 mt -43.03 -35.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.09 -40.78 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.9 m -53.32 -43.23 67.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 25.9 mt -80.08 -58.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 83' ' ' ILE . 24.7 mt -40.66 -57.93 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -80.9 42.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.404 ' HA3' ' NH2' ' A' ' 47' ' ' ARG . . . -81.85 -164.97 34.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.25 35.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.1 t -80.03 87.63 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -160.81 139.36 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.478 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -92.65 42.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -121.32 121.29 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.26 59.35 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -118.89 82.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -87.76 -60.52 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.7 -131.7 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -124.6 81.23 60.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 82.68 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -151.58 164.84 35.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 12' ' ' ASN . . . -81.72 78.81 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' ALA . 8.7 m120 -162.35 120.6 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 p -123.03 104.9 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.77 65.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD23 ' NZ ' ' A' ' 40' ' ' LYS . 20.4 mt -56.91 125.77 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' CYS . 26.8 p -161.54 132.04 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' CYS . 49.6 t -38.06 157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -85.88 -29.72 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.6 mt -93.8 -45.93 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 m -79.95 -37.65 34.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.5 m80 63.75 40.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -135.83 -175.53 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.68 110.64 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.64 136.99 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -42.37 -59.77 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 29' ' ' HIS . 3.7 p-10 -175.42 170.45 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' HIS . 8.9 t -34.07 -37.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' CG ' ' OD2' ' A' ' 27' ' ' ASP . 55.7 m170 -33.97 -46.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 3.4 p90 -37.94 150.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.5 t -74.69 114.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 3.0 tm0? -110.94 130.56 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -57.91 124.44 69.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.92 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.5 p -122.68 -41.11 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 39' ' ' HIS . 56.0 t -104.11 121.68 46.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -39.04 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -64.47 -45.15 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' H ' HG12 ' A' ' 36' ' ' VAL . 18.0 m170 -53.8 108.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.537 ' NZ ' HD23 ' A' ' 16' ' ' LEU . 40.0 mtmt -134.99 96.91 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -109.78 130.45 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.7 p -84.64 -174.69 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -57.55 -53.88 60.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.73 21.3 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.379 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -36.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.74 -44.29 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.585 ' CG ' HG22 ' A' ' 86' ' ' ILE . 48.9 mtm180 -47.9 -63.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -40.44 -29.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -87.34 -34.85 18.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 86.5 mt -64.94 -34.1 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -83.37 -43.46 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.96 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.665 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.7 mt-30 -71.03 -61.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.45 98.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -53.15 -45.91 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -92.7 -33.95 14.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.87 -149.99 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.23 150.55 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' NE2' ' A' ' 53' ' ' GLN . 69.2 t -134.02 110.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.5 m-85 -81.44 172.26 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.1 t -34.17 134.69 0.37 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.81 4.05 2.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.2 p -97.4 -30.1 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.89 30.7 7.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -114.39 -17.04 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 61.65 46.59 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.26 126.89 85.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.26 38.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.09 140.86 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 70' ' ' VAL . 4.5 p -47.27 119.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.16 -43.73 2.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 m -76.75 151.6 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -99.94 38.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 75' ' ' PRO . 91.1 t -137.48 136.84 20.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.71 132.17 22.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 10.0 p-90 -73.11 126.48 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.86 117.74 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -39.63 136.35 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.4 ttm -100.03 146.15 27.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 79' ' ' MET . 6.2 mp0 -31.11 -41.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.79 -72.93 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.92 -45.32 94.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 69.8 mt -37.07 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.19 -40.61 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -52.76 -45.15 66.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.585 HG22 ' CG ' ' A' ' 47' ' ' ARG . 47.3 mt -79.21 -53.56 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 83' ' ' ILE . 13.9 mt -38.75 -56.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 t -89.05 -63.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.66 64.6 1.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -77.7 98.25 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.3 p -82.67 123.34 29.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -43.91 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -69.38 -47.49 64.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.79 143.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -108.82 140.54 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.62 159.36 27.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -148.66 131.44 7.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -58.28 144.98 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.53 151.39 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -170.18 164.61 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.1 p -139.78 160.61 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.91 175.55 33.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.538 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.31 69.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.0 mt 58.78 42.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -82.56 146.66 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -63.58 155.68 28.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.1 m -85.41 -38.47 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.7 mt -79.51 -44.62 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -80.96 -52.55 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 71.16 39.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -124.24 -65.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.73 145.77 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.75 HD13 ' CD2' ' A' ' 30' ' ' PHE . 24.1 mt -102.41 115.87 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.8 pt-20 -35.55 -55.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.1 p-10 -174.04 170.42 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASP . 9.7 t -33.49 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' ASP . 26.0 m170 -34.69 -42.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.75 ' CD2' HD13 ' A' ' 25' ' ' LEU . 9.7 p90 -44.88 152.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.3 t -82.32 113.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.8 tm0? -105.67 121.42 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.27 123.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.74 24.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -111.01 -34.71 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' H ' ' A' ' 39' ' ' HIS . 96.7 t -115.07 120.92 36.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.11 17.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.0 m -69.19 -44.7 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' H ' HG12 ' A' ' 36' ' ' VAL . 31.6 m170 -52.05 112.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 25' ' ' LEU . 32.5 mttm -134.97 81.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.603 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -96.44 123.32 40.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.4 p -80.16 -174.97 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -57.4 -54.29 56.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.77 20.83 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.97 -30.01 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.59 -42.27 20.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.4 mtp180 -51.43 -61.72 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.01 -23.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 67.0 m -89.3 -35.24 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.655 HG22 ' HA ' ' A' ' 55' ' ' ALA . 85.4 mt -66.39 -32.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -83.36 -45.13 14.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.05 70.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.1 mt-30 -71.57 -57.45 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 93.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -54.49 -41.95 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.7 m -91.92 -38.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.04 -149.82 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.42 171.47 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG21 HG23 ' A' ' 50' ' ' ILE . 79.1 t -151.84 107.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -79.65 172.51 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.7 t -35.71 134.03 0.52 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.603 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.9 p -97.28 -27.79 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 26.42 10.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -110.79 -20.35 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 mtpm? 65.39 43.93 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.9 m -54.61 117.8 14.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 142.81 48.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -45.83 131.73 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.55 122.5 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 -40.8 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -86.17 174.75 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -116.5 37.91 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -136.32 130.59 18.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.1 Cg_endo -69.79 122.37 9.04 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -60.28 112.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.67 122.19 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' O ' HD11 ' A' ' 83' ' ' ILE . 32.1 m-85 -45.72 134.58 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -110.69 163.72 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' MET . 16.4 mm-40 -33.66 -44.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.7 -78.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 5.5 tt0 -54.67 -52.57 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.474 HD11 ' O ' ' A' ' 78' ' ' PHE . 73.5 mt -37.04 -36.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.03 -43.12 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 m -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 79.7 mt -72.57 -59.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 mt -43.26 -48.18 6.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.7 t -48.82 -56.25 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . 67.92 -144.8 43.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 89' ' ' GLY . 53.2 Cg_endo -69.78 130.03 18.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.0 m -79.74 46.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m 42.37 43.11 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.492 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -86.43 -50.08 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m 59.63 43.91 15.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.65 66.91 3.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -114.25 109.06 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.5 p -138.97 134.72 33.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.37 138.87 5.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -148.8 148.34 27.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 127.6 14.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -64.65 133.57 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.99 -46.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -121.55 130.35 53.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 p -88.17 -35.16 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.34 159.72 52.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 173.39 11.05 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -39.33 115.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -146.4 126.86 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 49.0 t -38.46 157.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 m -88.51 -36.59 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.7 mt -84.65 -45.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -79.57 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 74.14 36.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -126.93 178.38 6.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.84 93.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.874 HD13 ' CD2' ' A' ' 30' ' ' PHE . 39.9 mt -41.77 149.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.2 pm0 -68.2 -40.25 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.7 t70 -177.35 155.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.577 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 11.1 t -35.11 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.4 m170 -32.34 -35.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.874 ' CD2' HD13 ' A' ' 25' ' ' LEU . 30.7 p90 -48.4 151.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' PHE . 59.7 t -78.57 112.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 5.3 tm0? -107.74 126.22 52.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.6 t -58.52 126.3 78.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -11.7 31.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 p -112.95 -38.27 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.8 t -104.41 119.56 53.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.676 0.751 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.9 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -63.41 -44.99 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.7 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.3 m170 -49.32 110.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 24.8 mttt -135.0 87.7 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -104.09 123.24 46.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -84.11 179.72 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -51.2 -54.57 36.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.5 Cg_endo -69.74 21.41 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.54 -39.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -71.28 -43.22 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ILE . 65.2 mtp180 -46.75 -63.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -41.7 -29.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -86.16 -31.31 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HG23 ' A' ' 83' ' ' ILE . 84.7 mt -69.55 -30.97 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -86.32 -39.27 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.16 62.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 34.5 mt-30 -70.25 -62.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.86 99.28 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.01 80.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.4 m -83.4 -45.59 13.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.01 -150.19 6.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.67 160.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG13 ' NE2' ' A' ' 53' ' ' GLN . 70.1 t -142.22 116.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.3 m-85 -87.67 174.65 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.515 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.3 t -33.43 134.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 p -94.67 -30.37 14.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.72 30.24 7.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -114.03 -18.1 11.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 63.01 49.44 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.72 124.6 85.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.81 68.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.54 141.41 57.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.1 p -47.44 118.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.79 -43.79 2.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -76.47 145.8 38.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -93.06 36.18 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.2 t -136.25 138.9 28.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 111.181 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.78 144.38 53.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 11.4 p-90 -85.25 105.92 16.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -98.36 112.44 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.658 ' O ' HD11 ' A' ' 83' ' ' ILE . 59.5 m-85 -33.55 114.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.3 tmm? -62.47 132.63 53.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 83' ' ' ILE . 42.8 mm-40 -33.06 -40.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.76 -61.59 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.69 -47.05 85.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.777 HG23 HG21 ' A' ' 50' ' ' ILE . 56.4 mt -36.05 -35.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -42.29 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -53.25 -44.05 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 47' ' ' ARG . 93.9 mt -71.95 -57.77 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 mt -41.28 -42.77 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.8 t -85.17 -54.27 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.19 -175.74 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.24 36.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 t -104.33 126.94 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -118.98 90.12 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.46 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -73.07 147.9 44.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -136.77 136.28 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.01 149.69 19.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 p -56.89 170.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -41.23 147.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -172.02 75.49 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -35.89 143.73 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.16 59.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.13 133.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 15' ' ' PRO . . . -129.63 95.84 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -142.9 174.86 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 t 56.37 42.42 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.43 65.79 2.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' CB ' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.74 -32.1 19.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 16' ' ' LEU . 3.9 pp -113.32 127.08 56.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.4 m -126.32 161.03 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.38 154.98 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.18 -38.53 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 80.3 mt -78.52 -46.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.0 m -78.57 -43.46 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 62.73 43.04 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 48.3 mt-10 -125.16 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 1.3 ptt-85 -174.08 171.37 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 30' ' ' PHE . 33.2 mt -136.99 121.56 18.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -42.93 -54.6 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.7 m-20 -175.11 173.96 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' HIS . 7.3 t -34.12 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' ASP . 86.3 m-70 -33.04 -42.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 25' ' ' LEU . 8.1 p90 -50.4 158.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.6 t -83.02 102.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.7 tm0? -100.14 130.89 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 5.2 t -65.84 122.93 83.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.71 24.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -108.75 -40.04 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.46 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 t -112.1 121.46 39.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.53 22.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 m -70.99 -40.05 72.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.4 m170 -56.99 111.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 16.0 mtmt -135.0 87.28 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -102.09 128.49 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.0 p -85.55 -173.27 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -60.62 -53.72 61.71 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.76 20.7 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.42 -29.28 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -79.1 -49.87 11.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ILE . 61.6 mtt180 -43.13 -64.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -41.49 -33.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -82.88 -32.4 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.678 HG22 ' HA ' ' A' ' 55' ' ' ALA . 83.2 mt -68.05 -34.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -80.44 -44.37 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.09 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.48 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.1 95.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.678 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -52.99 -45.2 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.061 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 p -90.45 -42.53 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.8 -149.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.04 149.53 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG21 HG23 ' A' ' 50' ' ' ILE . 92.3 t -132.4 104.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . 2.5 m-85 -78.32 178.26 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.1 t -40.99 134.32 1.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 54.0 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 p -98.4 -28.2 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.18 30.06 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.88 -17.53 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.4 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 24.9 mtmm 61.31 42.21 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.22 120.58 21.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.13 49.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -46.74 131.52 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.76 121.6 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.4 -39.13 2.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m -87.06 176.27 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -119.31 40.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -140.12 131.37 14.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.751 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 116.85 4.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 13.7 p-90 -57.24 122.51 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -118.33 116.63 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 77' ' ' ALA . 56.3 m-85 -34.23 140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.4 mmm -109.15 155.25 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 8.8 mm-40 -34.96 -43.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.41 -70.29 1.02 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.26 -50.95 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.514 HG23 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -38.86 -36.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.75 -38.05 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.9 m -50.82 -41.77 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.458 HG22 ' CG ' ' A' ' 47' ' ' ARG . 36.0 mt -83.57 -60.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ILE . 38.5 mt -36.21 -50.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -66.38 -62.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.39 154.58 12.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.81 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.656 2.237 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.4 p -61.81 118.24 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -46.12 -59.57 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.479 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -66.3 -45.42 80.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -98.7 82.59 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -151.83 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -128.36 108.5 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -107.72 110.71 22.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.89 40.17 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.4 p -110.03 94.14 16.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.21 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 142.09 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 171.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -79.49 46.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 m -81.44 45.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.71 84.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 177.15 5.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.376 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.7 mt -42.47 122.84 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.57 127.28 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 26.9 t -49.28 150.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.6 m -81.29 -25.63 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -93.41 -41.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 m -85.25 -47.77 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 64.04 41.96 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -112.51 -72.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' NH1' ' HG2' ' A' ' 26' ' ' GLU . 7.2 ppt_? -173.58 147.23 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.0 mt -134.91 78.58 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HG2' ' NH1' ' A' ' 24' ' ' ARG . 4.6 pt-20 -78.69 45.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.18 176.06 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.548 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 15.3 t -111.14 -31.31 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' THR . 6.4 m80 -34.67 -40.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' A' ' 28' ' ' THR . 30.6 p90 -42.78 147.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' PHE . 53.9 t -81.14 118.81 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 8.1 tm0? -115.16 134.72 54.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.4 t -63.35 128.87 93.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.428 ' HD2' ' NE1' ' A' ' 76' ' ' TRP . 53.9 Cg_endo -69.72 -15.58 37.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.252 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -109.22 -41.03 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 39' ' ' HIS . 49.3 t -100.78 119.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m -63.26 -45.22 92.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.639 ' H ' HG12 ' A' ' 36' ' ' VAL . 20.9 m170 -49.29 108.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 5.8 mtmp? -134.66 91.37 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -105.26 126.19 51.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 4.2 p -81.84 -173.43 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -58.59 -54.11 59.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.81 19.99 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.57 -30.34 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -81.37 -46.98 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 86' ' ' ILE . 11.6 mtm105 -45.45 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.07 -30.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.461 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.5 m -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.695 HG23 HG21 ' A' ' 59' ' ' VAL . 77.5 mt -62.9 -35.38 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.53 -46.57 17.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.61 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 31.0 mt-30 -71.73 -63.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.98 102.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -64.91 -43.5 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -85.91 -20.96 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.12 -150.37 22.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -82.84 151.33 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 HG23 ' A' ' 50' ' ' ILE . 93.6 t -128.84 104.1 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.584 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -76.36 169.85 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HD2' ' A' ' 62' ' ' PRO . 11.1 t -36.93 134.94 0.64 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.72 5.5 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 p -100.21 -26.33 13.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.79 28.89 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.9 mm-40 -118.97 13.94 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 12.5 mtmt 33.99 50.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 m -62.93 117.26 30.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 163.61 37.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.82 152.37 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 71' ' ' GLY . 6.9 p -71.13 -43.48 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -97.96 20.74 49.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.483 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -161.84 175.6 11.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 35.5 t30 -109.95 38.19 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 75' ' ' PRO . 99.2 t -132.9 139.06 33.34 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.79 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HD2' ' A' ' 34' ' ' PRO . 27.8 p-90 -45.68 108.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -107.07 112.5 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' O ' HD11 ' A' ' 83' ' ' ILE . 89.6 m-85 -33.58 138.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -103.4 161.23 14.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.9 mm-40 -35.02 -44.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.86 -70.64 0.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ILE . 4.9 tt0 -55.61 -56.47 19.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.586 HG23 HG21 ' A' ' 50' ' ' ILE . 71.5 mt -35.3 -35.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -91.9 -41.43 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.2 m -51.3 -42.91 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.536 HG22 ' CG ' ' A' ' 47' ' ' ARG . 38.0 mt -77.81 -53.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.67 -48.45 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m -133.62 77.21 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.8 -94.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.52 19.43 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.23 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -42.49 -56.71 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.9 t -59.35 96.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -76.37 100.98 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -170.8 158.92 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.18 -60.0 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -68.77 164.98 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -84.56 111.59 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.88 -89.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 p -171.54 138.2 1.08 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 88.88 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.2 mtp -123.24 164.31 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.0 106.52 7.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -115.97 -55.47 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 83.4 p -104.97 150.12 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' HA2' ' CD ' ' A' ' 24' ' ' ARG . . . -111.46 63.33 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 -43.47 2.65 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.602 HD13 HD12 ' A' ' 25' ' ' LEU . 3.8 pp -137.26 162.69 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -154.78 137.51 15.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t -43.14 159.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -90.19 -29.71 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 21.5 mt -89.74 -42.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.5 -46.1 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 75.01 38.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.34 -178.75 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' CD ' ' HA2' ' A' ' 14' ' ' GLY . 50.6 mmt-85 -72.67 92.7 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.968 HD13 ' CD2' ' A' ' 30' ' ' PHE . 16.2 mt -41.11 150.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASP . 2.4 pp20? -64.02 -48.8 74.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 4.3 m-20 -172.62 158.43 4.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.524 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.1 t -38.02 -34.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' THR . 12.5 m170 -34.25 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.968 ' CD2' HD13 ' A' ' 25' ' ' LEU . 10.4 p90 -46.22 155.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 ' HZ ' ' A' ' 78' ' ' PHE . 55.6 t -77.51 113.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.6 tm0? -109.03 125.48 52.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -51.09 126.8 27.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.922 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' CG ' ' CD1' ' A' ' 76' ' ' TRP . 53.7 Cg_endo -69.78 2.38 3.6 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 p -133.43 -39.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 39' ' ' HIS . 59.2 t -99.91 119.45 59.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.01 2.34 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.1 p -61.07 -41.94 97.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . 24.6 m170 -56.5 109.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 15.8 mtmm -134.93 90.08 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.553 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -103.42 129.24 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.9 p -83.79 -176.58 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.1 m-30 -55.21 -54.47 50.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.82 20.08 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.01 -34.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -80.05 -41.2 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . 58.9 mtp180 -51.0 -61.87 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -40.72 -27.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -86.56 -34.67 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 83' ' ' ILE . 50.7 mt -64.12 -29.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -88.12 -42.27 12.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.59 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.712 ' NE2' HG13 ' A' ' 59' ' ' VAL . 41.5 mt-30 -66.88 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.73 84.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -50.17 -41.92 50.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -87.64 -36.11 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.96 -152.2 21.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.44 163.28 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.712 HG13 ' NE2' ' A' ' 53' ' ' GLN . 60.1 t -142.61 109.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -84.84 -179.53 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.474 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 34.0 t -42.52 135.39 2.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.83 4.27 2.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 p -96.35 -29.97 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.73 25.35 9.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' LYS . 75.9 mm-40 -116.45 15.2 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mtmt 34.69 45.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 13.8 m -56.85 112.47 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.8 142.33 47.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 5.4 mt -49.92 165.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' SER . 3.3 p -72.64 128.6 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 37.37 32.49 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 69' ' ' LEU . 50.5 m -117.63 -26.69 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 63.67 29.73 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -143.57 131.96 11.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.78 103.02 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.289 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.536 ' CD1' ' CG ' ' A' ' 34' ' ' PRO . 5.5 p-90 -44.15 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -97.04 107.48 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HZ ' HG11 ' A' ' 31' ' ' VAL . 44.7 m-85 -33.55 120.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.7 mtt -79.14 146.18 33.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -34.53 -39.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.15 -56.08 22.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 10.1 tt0 -64.45 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -50.09 -34.57 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.51 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 m -56.21 -47.13 78.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.8 mt -71.21 -47.9 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.23 -56.89 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -134.77 78.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.16 21.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 1.83 4.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -123.27 130.24 52.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.3 p -149.46 121.35 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.461 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 t 51.01 42.11 28.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -134.54 105.73 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.8 99.77 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -113.28 115.68 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -55.73 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.3 -170.9 41.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 p -136.85 133.26 18.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.736 . . . . 0.0 110.851 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 109.79 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.09 84.98 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.86 37.87 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.01 111.93 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -60.43 121.67 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.19 73.68 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -150.44 122.49 8.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -130.09 161.77 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.89 158.02 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -86.85 -38.88 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 63.1 mt -82.17 -46.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.17 -44.4 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.61 39.56 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -122.81 -75.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -153.83 167.74 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 HD13 ' CD2' ' A' ' 30' ' ' PHE . 41.9 mt -133.88 112.6 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -39.17 -45.6 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.8 m-20 -176.26 166.46 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.569 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 63.9 p -40.21 -28.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 28' ' ' THR . 19.4 m170 -33.1 -38.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CD2' HD13 ' A' ' 25' ' ' LEU . 19.9 p90 -43.7 150.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' PHE . 61.9 t -74.67 107.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 4.2 tm0? -102.18 127.44 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -56.41 125.88 67.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.69 2.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 p -132.61 -43.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.511 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 11.1 t -100.03 119.57 59.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -40.27 5.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -61.66 -43.3 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 21.0 m170 -56.09 109.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 4.3 mtmp? -135.01 88.47 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -102.99 125.25 49.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.9 p -79.68 -173.22 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -59.03 -53.88 62.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.3 Cg_endo -69.76 21.07 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.51 -40.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -72.16 -47.7 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 86' ' ' ILE . 15.9 mtp-105 -45.29 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -41.67 -32.96 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 52.4 m -82.47 -34.74 27.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 59' ' ' VAL . 79.9 mt -62.44 -35.3 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -81.42 -45.53 15.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.23 78.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 27.6 mt-30 -71.4 -60.25 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.63 100.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.73 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.3 p -95.1 -36.18 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.16 -151.1 5.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.61 157.53 21.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 50' ' ' ILE . 98.4 t -136.53 109.92 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.6 m-85 -85.55 174.59 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.574 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 5.0 t -35.19 134.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.8 3.79 2.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 24.6 p -97.78 -29.21 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 30.32 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -114.32 -17.03 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 61.98 48.16 5.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.4 m -60.72 123.91 76.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.45 45.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.732 2.288 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.1 136.37 48.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -44.55 120.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.23 -43.58 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.0 m -76.99 147.51 36.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.35 38.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 75' ' ' PRO . 84.9 t -138.76 138.57 21.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.73 137.53 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 8.9 p-90 -77.88 110.51 12.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.38 115.48 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . 73.5 m-85 -38.99 158.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 80' ' ' GLN . 22.4 ptp -129.44 157.37 42.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 79' ' ' MET . 5.6 mp0 -32.87 -43.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.79 -75.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -46.58 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 50' ' ' ILE . 69.1 mt -41.21 -37.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -41.11 11.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 96.1 m -53.01 -40.96 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.673 HG22 ' HG3' ' A' ' 47' ' ' ARG . 64.3 mt -76.28 -54.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.6 mt -46.08 -56.21 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.28 44.69 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.58 172.65 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.78 0.88 5.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' PRO . 48.8 m -35.3 -61.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' SER . 91.2 p -35.02 -52.07 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -83.04 128.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -120.79 157.91 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.25 125.29 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -118.39 80.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -54.42 -53.23 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' A' ' 9' ' ' PRO . . . 92.9 125.13 3.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -102.47 96.89 7.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.79 123.31 9.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 mmt -80.31 143.47 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.79 175.79 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -123.75 114.09 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -101.08 150.34 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.35 81.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.0 mt -150.97 111.29 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -150.69 137.06 18.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.0 t -49.17 153.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -87.83 -36.08 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.411 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.8 mt -81.75 -46.42 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.5 m -79.41 -32.57 42.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.6 m170 62.72 43.07 7.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.55 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm105 -65.35 133.52 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -109.55 128.01 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 51.8 mt-10 -39.53 -31.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 25.9 t0 71.46 25.0 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.0 -34.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -132.09 80.15 1.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 32' ' ' GLN . 24.7 p90 -157.31 148.35 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' PHE . 58.0 t -85.62 116.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 6.2 tm0? -115.24 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.8 t -56.01 125.93 64.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.27 18.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 p -119.77 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 21.6 t -101.02 119.34 58.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.05 9.76 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -66.52 -45.08 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.3 m170 -52.29 111.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.86 95.35 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -110.33 123.48 49.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.4 p -81.93 -178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.18 -54.55 43.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.0 Cg_endo -69.74 21.9 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.35 -34.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -75.42 -48.22 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 50' ' ' ILE . 49.4 mtm180 -42.01 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -40.32 -33.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 50.9 m -81.51 -34.95 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.694 HG21 HG23 ' A' ' 83' ' ' ILE . 79.1 mt -64.58 -34.17 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -83.19 -45.15 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 23.2 mt-30 -78.33 -59.89 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.07 101.52 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.43 97.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 t -94.62 -28.82 15.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.19 -151.5 22.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -80.49 165.2 22.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG21 HG23 ' A' ' 50' ' ' ILE . 90.9 t -145.03 105.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.5 m-85 -79.65 171.47 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' TYR . 4.7 t -36.37 134.51 0.59 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.55 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 4.98 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.3 p -98.07 -28.58 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.98 30.21 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.27 -17.25 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 63.72 48.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.73 121.69 76.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.68 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -70.66 158.97 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 p -77.24 -39.11 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.43 20.2 45.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -161.36 175.32 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -110.26 36.56 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 75' ' ' PRO . 89.1 t -129.57 139.47 35.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 108.84 2.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -46.59 111.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -109.23 113.51 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' ALA . 88.0 m-85 -37.18 139.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 80' ' ' GLN . 11.5 ptp -105.36 149.13 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.8 tp-100 -32.07 -40.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -52.83 -73.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.5 tp10 -60.51 -49.51 77.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.694 HG23 HG21 ' A' ' 50' ' ' ILE . 63.8 mt -33.38 -37.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -89.43 -39.46 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' GLU . 53.0 m -53.42 -42.67 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.18 -55.42 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -41.72 -52.04 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -108.23 39.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.96 112.78 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 94.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.1 p -130.39 145.58 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -53.42 -60.44 3.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -119.2 157.19 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -108.02 -50.41 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.37 -147.35 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -161.16 110.83 1.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -116.97 162.32 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 -177.54 18.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -151.2 141.88 14.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.16 64.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.0 131.11 53.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.34 119.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.68 159.42 25.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -134.1 153.92 51.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 15' ' ' PRO . . . 134.48 95.89 0.53 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HG2' HD23 ' A' ' 16' ' ' LEU . 54.0 Cg_endo -69.71 -30.78 21.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 15' ' ' PRO . 2.3 pt? -136.35 134.88 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 p -124.97 133.66 52.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 37.5 t -42.35 154.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -84.26 -32.84 24.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 89.0 mt -87.41 -47.03 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.4 m -79.92 -46.9 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 63.09 39.7 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -110.57 -67.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -174.94 161.7 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -154.76 127.22 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' THR . 1.5 pm0 -79.98 41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 28' ' ' THR . 14.9 t0 33.83 33.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.0 p -158.97 136.96 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 74.96 40.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -147.6 147.23 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' PHE . 46.3 t -85.41 148.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 46.2 tp60 -140.66 145.5 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -73.39 130.31 84.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.78 24.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -119.66 -40.9 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 10.7 t -101.28 115.15 65.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -42.79 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.1 p -59.8 -34.76 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.9 m170 -60.14 108.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HD3' HD12 ' A' ' 16' ' ' LEU . 28.8 mttt -130.08 98.85 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 2.0 m-85 -113.01 118.75 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -78.36 -178.42 5.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.606 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-85 -53.07 -54.52 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.669 0.747 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.77 21.87 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -128.18 -39.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -73.56 -42.8 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 51.7 mtp180 -47.1 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -43.81 -30.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.491 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 59.8 m -82.71 -34.56 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.776 HG21 HG23 ' A' ' 83' ' ' ILE . 82.5 mt -65.29 -38.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -80.25 -43.91 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.9 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 28.2 mt-30 -71.87 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.96 94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.671 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.11 -45.68 79.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -82.62 -38.37 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.18 12.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.59 170.9 15.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 50' ' ' ILE . 95.1 t -151.19 105.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -78.35 173.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 10.0 t -35.74 134.58 0.52 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.593 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.2 Cg_endo -69.81 3.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 p -94.2 -29.27 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.23 29.84 8.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -116.43 -13.6 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 60.96 46.9 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.3 m -58.56 121.14 50.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.95 69.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 74' ' ' VAL . 4.3 mt -56.3 141.01 43.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -42.77 111.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.75 -44.61 2.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m -72.92 132.38 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.37 41.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' O ' HD12 ' A' ' 69' ' ' LEU . 46.7 t -135.83 128.24 17.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.78 130.94 20.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 14.8 p-90 -71.88 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.22 130.57 52.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -49.7 145.59 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.4 ttm -102.0 145.9 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 79' ' ' MET . 23.5 mp0 -33.6 -45.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.05 -69.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ILE . 9.8 tt0 -55.56 -51.8 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 HG21 ' A' ' 50' ' ' ILE . 69.3 mt -35.44 -37.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -41.69 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.3 m -51.84 -42.18 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 47' ' ' ARG . 47.1 mt -76.68 -47.29 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -52.52 -54.47 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.7 t -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.57 -166.92 28.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.01 3.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.0 t -39.04 -65.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 m -113.7 131.71 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.535 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.63 -57.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.404 . . . . 0.0 110.916 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -96.0 127.51 42.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.65 166.15 54.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -113.69 162.11 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m -100.3 -48.46 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 -156.97 26.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -125.07 89.4 52.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.634 0.731 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 104.99 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttm -107.19 102.31 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.29 149.47 49.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -70.55 82.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.883 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 p -171.45 173.64 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.48 84.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.68 ' HB2' HD12 ' A' ' 16' ' ' LEU . 53.4 Cg_endo -69.79 -52.21 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -144.38 159.29 42.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.2 p -137.08 143.11 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.6 t -54.17 155.62 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -86.13 -36.51 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 mt -81.38 -45.07 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.57 -45.89 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m170 62.83 42.14 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -129.43 -73.71 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 mmt-85 -151.78 168.31 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 40' ' ' LYS . 19.5 mt -136.37 113.11 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.1 mt-10 -34.3 -64.87 0.22 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.7 m-20 -171.34 175.31 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASP . 34.3 p -33.34 -34.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.2 m-70 -34.27 -45.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 6.5 p90 -44.26 155.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . 55.5 t -85.12 114.66 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.7 tm0? -110.76 124.73 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 39' ' ' HIS . 1.6 t -55.03 128.11 64.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.23 35.91 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 p -110.89 -38.46 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.4 t -103.62 120.03 52.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -43.4 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.609 ' H ' HG12 ' A' ' 36' ' ' VAL . 14.7 m170 -48.17 109.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mtmp? -134.99 83.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -98.25 124.19 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.7 p -81.97 178.8 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.8 m-85 -51.89 -54.6 38.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.78 21.55 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.4 m -131.93 -36.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -75.58 -42.48 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ILE . 57.8 mtp180 -50.74 -62.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -38.39 -29.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ARG . 5.5 m -87.04 -37.61 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 83' ' ' ILE . 85.6 mt -63.39 -31.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -83.97 -45.14 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.1 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.9 mt-30 -69.46 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.81 92.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -51.47 -42.37 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.0 m -91.75 -40.12 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.22 -150.44 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.29 159.11 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.603 HG21 HG23 ' A' ' 50' ' ' ILE . 76.9 t -141.66 108.48 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -80.36 168.86 18.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' TYR . 7.6 t -34.17 134.6 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.594 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.79 4.56 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 25.1 p -98.06 -29.03 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.22 7.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.65 -16.85 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 63.45 48.46 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.7 m -63.52 121.24 69.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.01 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.59 158.45 24.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -75.46 -38.45 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.34 18.51 44.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -159.87 174.59 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.88 35.56 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HD2' ' A' ' 75' ' ' PRO . 80.4 t -125.15 135.3 26.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG13 ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 105.98 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -42.05 118.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.62 115.3 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' O ' HD11 ' A' ' 83' ' ' ILE . 67.1 m-85 -44.99 143.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -119.5 159.39 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' MET . 77.6 mm-40 -31.21 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -49.69 -80.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' THR . 5.1 tt0 -62.08 -52.12 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 50' ' ' ILE . 66.3 mt -32.16 -36.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' GLU . . . -90.07 -41.12 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' GLU . 49.6 m -55.57 -42.9 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.479 HG22 ' CG ' ' A' ' 47' ' ' ARG . 82.2 mt -76.32 -52.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.16 -49.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 m -38.25 -64.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 91.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.56 11.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.7 t -75.9 161.15 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.7 t -112.29 106.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.497 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -92.45 170.93 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -167.26 139.87 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.37 -133.61 2.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -117.16 112.31 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -62.4 -27.43 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.19 -96.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -50.3 145.95 9.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.754 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.94 55.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' ALA . 11.5 mmt -46.13 -47.42 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' MET . . . -36.87 -44.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -54.81 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -160.48 141.08 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' N ' ' HD2' ' A' ' 15' ' ' PRO . . . 168.02 -62.76 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 14' ' ' GLY . 54.2 Cg_endo -69.73 -50.72 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 0.0 112.377 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -150.67 125.46 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.26 123.88 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.49 157.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -91.46 -25.95 19.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.412 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 96.2 mt -94.72 -42.04 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 m -88.13 -36.75 16.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 64.31 40.73 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -126.05 179.43 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -70.63 96.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' CB ' ' A' ' 30' ' ' PHE . 26.2 mt -46.19 137.63 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.26 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 29' ' ' HIS . 1.2 p30 -168.78 168.18 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t -29.92 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 27' ' ' ASP . 28.1 m170 -32.64 -43.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CB ' HD22 ' A' ' 25' ' ' LEU . 8.7 p90 -48.28 151.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' PHE . 60.6 t -84.59 144.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 38.8 tp60 -137.65 135.47 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 4.8 t -67.72 129.86 93.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.24 29.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.2 p -96.4 -36.69 10.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 39' ' ' HIS . 48.8 t -108.13 116.77 56.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -34.85 13.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.388 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.8 p -67.41 -46.13 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.64 ' H ' HG12 ' A' ' 36' ' ' VAL . 10.5 m170 -45.79 111.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -132.61 93.98 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -110.28 125.8 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 3.6 p -84.92 -175.69 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -55.62 -54.19 54.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.691 0.757 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.5 Cg_endo -69.8 20.96 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.481 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.22 -44.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.47 -44.99 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' HG3' HG22 ' A' ' 86' ' ' ILE . 55.0 mtp180 -46.76 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -41.14 -32.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.457 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 49.9 m -80.77 -35.44 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.686 ' HA ' HG21 ' A' ' 59' ' ' VAL . 75.7 mt -60.96 -35.66 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -82.86 -42.78 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.94 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.729 ' NE2' HG13 ' A' ' 59' ' ' VAL . 29.8 mt-30 -73.26 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.64 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -56.7 -40.13 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -88.48 -39.73 13.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.1 -151.6 8.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -87.29 155.4 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.729 HG13 ' NE2' ' A' ' 53' ' ' GLN . 86.2 t -135.02 113.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 66' ' ' LYS . 2.3 m-85 -81.2 174.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . 4.8 t -38.02 135.15 0.84 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.77 4.38 2.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 p -95.62 -32.45 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.95 6.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 66' ' ' LYS . 79.6 mm-40 -121.74 19.9 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 43.3 mtpt 32.09 48.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.07 114.7 12.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 161.57 45.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.35 136.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 70' ' ' VAL . 8.1 p -45.93 123.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.45 -44.55 1.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -79.27 158.73 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -104.23 39.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.38 128.08 19.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.67 116.8 4.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.0 p-90 -58.41 118.38 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -117.1 119.02 33.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 86' ' ' ILE . 38.0 m-85 -38.87 148.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' C ' ' A' ' 80' ' ' GLN . 5.5 mmt -124.43 161.67 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' NE2' ' H ' ' A' ' 80' ' ' GLN . 1.7 mp0 -32.52 -41.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.7 -70.05 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 tp10 -60.78 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.48 HG23 HG21 ' A' ' 50' ' ' ILE . 63.1 mt -37.62 -37.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.74 -41.49 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.5 m -53.97 -45.72 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.568 HG22 ' HG3' ' A' ' 47' ' ' ARG . 28.4 mt -76.23 -45.48 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 83' ' ' ILE . 19.6 mt -54.64 -60.31 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 47.19 41.43 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.75 -93.47 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 5.07 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.7 t -84.72 97.24 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.3 m -117.15 111.49 19.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.49 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -101.93 101.04 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -86.27 159.58 19.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.17 -88.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -79.4 112.83 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -80.34 49.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.6 161.73 52.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -75.73 134.52 72.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.8 3.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.5 173.69 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.91 140.52 15.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -93.36 88.12 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.0 m -63.99 99.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.97 -76.44 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mp -39.85 123.33 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.3 m -129.41 143.12 50.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.39 159.15 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 m -88.64 -36.85 16.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 70.2 mt -84.37 -44.93 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 38.4 m -81.38 -23.41 37.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 34.8 p80 48.73 45.25 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 28.6 mt-10 -141.45 -174.98 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -63.24 128.24 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 30' ' ' PHE . 8.7 mt -93.78 141.44 28.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.19 -60.42 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' HIS . 16.8 m-20 -175.09 169.71 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' HIS . 11.2 t -33.88 -34.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASP . 51.3 m80 -33.62 -42.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.2 p90 -47.04 159.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' PHE . 42.4 t -82.16 113.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.3 tm0? -109.7 123.36 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -49.79 127.44 19.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.81 4.08 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -133.35 -40.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.717 HG12 ' H ' ' A' ' 39' ' ' HIS . 57.4 t -99.04 118.71 62.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.77 -44.13 2.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 p -60.99 -39.18 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.717 ' H ' HG12 ' A' ' 36' ' ' VAL . 19.8 m170 -58.99 107.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.6 mtmt -133.04 86.55 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -99.15 128.81 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.5 p -85.21 -176.45 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.0 m-30 -56.52 -54.18 56.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.1 Cg_endo -69.81 20.46 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.39 -38.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -74.07 -45.51 48.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' CG ' HG22 ' A' ' 86' ' ' ILE . 13.0 mtp-105 -48.28 -58.52 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.26 -33.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 m -82.96 -29.98 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.847 HG21 HG23 ' A' ' 83' ' ' ILE . 89.9 mt -68.07 -36.91 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -80.66 -42.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.35 76.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 59' ' ' VAL . 32.2 mt-30 -73.64 -60.77 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.14 105.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.42 93.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -79.43 -35.71 40.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.98 -149.15 19.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.14 152.14 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' NE2' ' A' ' 53' ' ' GLN . 82.2 t -131.15 109.9 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -78.61 173.48 12.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 t -37.65 134.65 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.596 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 53.5 Cg_endo -69.79 4.88 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -98.92 -27.99 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.98 31.27 7.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -115.65 -16.57 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 63.27 50.32 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.05 119.54 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.27 24.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.29 153.43 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.15 -36.75 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.89 17.45 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -161.05 177.39 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -110.58 36.7 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 75' ' ' PRO . 93.7 t -130.07 139.57 36.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.81 113.23 3.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -49.57 114.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.27 124.95 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -45.52 133.33 7.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -97.0 146.1 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.484 ' N ' ' HG3' ' A' ' 79' ' ' MET . 2.1 mp0 -32.18 -44.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.44 -63.54 5.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.95 -48.06 75.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.847 HG23 HG21 ' A' ' 50' ' ' ILE . 80.3 mt -38.2 -36.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.37 -42.18 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 m -49.47 -42.59 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.694 HG22 ' CG ' ' A' ' 47' ' ' ARG . 52.4 mt -75.84 -60.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 47' ' ' ARG . 40.5 mt -38.28 -50.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 p -68.39 -36.34 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' ILE . . . 53.87 166.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.534 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.29 37.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 t -78.67 166.6 22.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -151.84 162.11 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.087 -0.84 . . . . 0.0 112.506 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -140.25 164.18 30.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -106.57 156.39 18.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -65.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -65.01 134.07 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -78.83 177.4 8.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.14 -166.42 32.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -120.16 143.25 35.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.661 0.743 . . . . 0.0 110.86 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ALA . 6.5 tpt -164.33 149.03 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' MET . . . -37.04 -51.65 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.07 156.24 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -109.25 95.82 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.14 71.04 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.66 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.009 HD12 ' HB3' ' A' ' 27' ' ' ASP . 79.5 mt -49.45 108.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -115.1 162.06 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.2 t -74.08 145.39 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 m -80.27 -29.1 38.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' HB ' ' SG ' ' A' ' 45' ' ' CYS . 76.1 mt -87.08 -41.17 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 m -90.45 -49.8 6.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 64.05 44.71 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -119.2 -74.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -167.32 138.79 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 18' ' ' CYS . 88.2 mt -134.43 10.65 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 43.14 25.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.009 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER 43.78 44.35 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 27' ' ' ASP . 11.6 p -166.32 142.14 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.5 m80 66.16 54.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -156.42 148.71 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 41' ' ' PHE . 37.5 t -81.72 122.42 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 6.5 tm0? -119.33 137.75 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -62.02 126.5 87.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.4 p -126.8 -43.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 23.2 t -99.58 121.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -43.11 2.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.9 p -60.36 -44.8 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 20.4 m170 -53.78 108.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 18.4 mtmm -135.0 100.02 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 1.1 m-85 -111.54 130.31 55.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' A' ' 44' ' ' PRO . 5.2 p -85.05 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 3.2 m-85 -60.58 -53.91 59.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -129.52 -39.39 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -72.45 -38.81 68.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 50' ' ' ILE . 59.5 mtp180 -53.86 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -42.19 -27.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.407 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 13.7 m -86.61 -32.45 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.794 HG21 HG23 ' A' ' 83' ' ' ILE . 87.2 mt -69.49 -29.15 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -84.52 -47.6 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.95 75.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' OE1' ' N ' ' A' ' 60' ' ' TYR . 33.6 mt-30 -70.26 -64.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.43 101.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HG22 ' A' ' 50' ' ' ILE . . . -60.28 -39.18 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -83.74 -41.96 17.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.33 -148.37 5.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.04 163.41 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG13 ' NE2' ' A' ' 53' ' ' GLN . 68.0 t -143.85 108.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -80.8 172.69 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' TYR . 6.5 t -33.89 134.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 p -94.32 -28.18 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.07 31.07 7.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.1 -15.2 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 mtpm? 62.51 48.76 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.42 120.19 60.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.3 38.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.25 141.49 52.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.87 121.93 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.12 -40.59 2.83 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.7 m -86.58 165.57 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -111.64 40.51 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.1 t -137.29 138.85 26.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.6 0.714 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.82 130.92 20.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 61' ' ' CYS . 15.2 p-90 -72.35 93.84 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' PHE . . . -92.85 115.14 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 78.9 m-85 -33.3 138.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' GLN . 12.9 mtt -94.15 150.01 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' MET . 4.5 mm-40 -36.13 -38.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.88 -57.27 11.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 8.1 tt0 -62.3 -49.51 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.794 HG23 HG21 ' A' ' 50' ' ' ILE . 54.6 mt -40.5 -35.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.07 -41.84 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 m -51.14 -43.58 61.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 82' ' ' GLU . 54.6 mt -76.49 -53.38 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.8 mt -45.87 -48.28 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -81.06 -67.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.68 70.15 1.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 83.24 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -107.98 104.45 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -46.24 -49.69 16.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.453 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 55.88 42.32 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -110.61 149.98 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.5 -85.68 1.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m 44.68 42.12 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -72.77 -61.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.42 178.48 8.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.9 p -124.06 75.77 58.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.19 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.291 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 ttt -169.35 173.88 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 38.98 41.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.6 112.02 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -162.72 143.44 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.31 142.63 14.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -174.12 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.358 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' HD3' ' A' ' 40' ' ' LYS . 3.4 mp -40.38 107.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.92 155.68 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.42 162.11 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.2 m -90.78 -43.15 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 80.2 mt -80.06 -41.36 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 37.9 m -86.15 -38.27 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.938 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 21' ' ' CYS . 3.6 p-80 43.31 44.64 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -126.21 -52.47 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -174.63 147.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD13 ' CD2' ' A' ' 30' ' ' PHE . 14.1 mt -123.93 132.23 53.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.54 -58.94 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.0 t70 -174.05 173.45 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 27' ' ' ASP . 43.2 p -33.29 -34.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' ASP . 52.1 m170 -34.1 -47.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' HD13 ' A' ' 25' ' ' LEU . 8.6 p90 -39.82 145.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' PHE . 45.7 t -73.62 118.88 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 36' ' ' VAL . 9.5 tm0? -114.93 143.49 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -70.58 126.27 92.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.675 ' O ' HG21 ' A' ' 70' ' ' VAL . 54.0 Cg_endo -69.76 -23.93 30.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 70' ' ' VAL . 4.7 p -99.56 -30.24 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.58 HG12 ' H ' ' A' ' 39' ' ' HIS . 33.0 t -113.15 117.21 46.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.673 0.749 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.42 4.26 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.4 p -62.78 -45.73 91.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.7 m170 -48.64 131.82 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HD3' HD23 ' A' ' 16' ' ' LEU . 7.4 mtmp? -152.82 105.53 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -120.34 126.1 49.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.1 p -80.51 -173.66 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 2.9 m-30 -58.67 -53.74 63.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.74 20.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 43' ' ' PHE . 1.5 m -127.21 -39.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -73.17 -39.91 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' CG ' HG22 ' A' ' 86' ' ' ILE . 66.0 mtp180 -54.28 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -41.89 -26.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . 3.6 m -86.09 -33.87 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 55' ' ' ALA . 89.3 mt -65.48 -36.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -78.17 -44.46 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -50.87 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 49' ' ' SER . 29.2 mt-30 -73.66 -65.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.94 106.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HG22 ' A' ' 50' ' ' ILE . . . -66.67 -42.22 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.6 m -70.56 -37.08 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.88 -147.21 21.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.6 154.39 21.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' NE2' ' A' ' 53' ' ' GLN . 94.7 t -134.27 105.91 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CE2' ' HG3' ' A' ' 75' ' ' PRO . 2.4 m-85 -74.06 164.81 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' TYR . 22.8 t -34.09 135.49 0.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HG2' ' CG ' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.79 5.55 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 p -94.8 -28.94 15.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.46 32.01 8.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -117.22 -12.1 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 62.57 45.48 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.0 m -54.78 119.24 20.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.55 63.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.94 157.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG21 ' O ' ' A' ' 34' ' ' PRO . 90.1 t -77.11 70.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.99 -37.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.59 172.12 6.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -90.63 6.44 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -110.06 129.86 23.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 153.79 68.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -68.47 137.9 54.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' H ' ' A' ' 59' ' ' VAL . . . -129.61 114.73 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -37.89 148.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 80' ' ' GLN . 1.5 ptt? -119.87 156.72 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 79' ' ' MET . 22.0 mm100 -32.5 -45.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.87 -73.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -49.83 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 87' ' ' LEU . 74.2 mt -36.44 -36.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.46 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 84.8 m -54.51 -43.57 71.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 ' CG ' ' A' ' 47' ' ' ARG . 59.9 mt -73.25 -52.71 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 83' ' ' ILE . 37.2 mt -48.86 -53.46 19.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -60.34 -58.78 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.77 161.03 33.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 43' ' ' PHE . 53.9 Cg_endo -69.74 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.0 m -50.07 146.87 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -57.78 -59.99 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.195 -0.78 . . . . 0.0 112.462 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_